Geometry & MOs

Info

ID:	423995
PubChem CID:	135120959
Reduced:	ON7C27H27 (1)
Stoich.:	AB7C27D27 (1)
Weight, g/mol:	492.188544
ΔH_f, kcal/mol:	123.83
Dipole, Da:	4.1
IP(EA), eV:	-9.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-4-ylmethyl)-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2=CC=C(C=C2)CN3C=C(C(=N3)C4CC4)C(=O)NCC5=CN=C6C(=C5)C=CN6

DOS

IR

Vibrations