Geometry & MOs

Info

ID:	163882
PubChem CID:	74380607
Reduced:	O2F3N5C21H32 (1)
Stoich.:	A2B3C5D21E32 (1)
Weight, g/mol:	451.294725
ΔH_f, kcal/mol:	-209.15
Dipole, Da:	4.43
IP(EA), eV:	-8.13(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1C2CCC(CC2NN1)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations