Geometry & MOs

Info

ID:

163879

PubChem CID:

74380603

Reduced:

O5N11C50H55 (1)

Stoich.:

A5B11C50D55 (1)

Weight, g/mol:

427.190566

ΔHf, kcal/mol:

-88.11

Dipole, Da:

8.13

IP(EA), eV:

 -8.24(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylamino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-6-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=CC5=CC=CC=C54)NC(=O)C(CC6=CNC7=CC=CC=C76)N

DOS

IR

Vibrations