Geometry & MOs

Info

ID:	163367
PubChem CID:	57894321
Reduced:	NF3H12C18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	357.195346
ΔH_f, kcal/mol:	-76.85
Dipole, Da:	3.94
IP(EA), eV:	-8.97(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2Z)-2-(1,2,4,5,6,7-hexahydroindazol-3-ylidene)indol-5-yl]methyl]-1-pyridin-4-ylmethanamine

Drug info:

PubChemData

Smile

C1=CC=C2C=NC(=CC2=C1)/C=C/C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations