Geometry & MOs

Info

ID:	39148
PubChem CID:	8139797
Reduced:	ON4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	57.23
Dipole, Da:	4.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.002983
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations