Geometry & MOs

Info

ID:	438203
PubChem CID:	135227896
Reduced:	BrN2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	378.184447
ΔH_f, kcal/mol:	56.17
Dipole, Da:	2.39
IP(EA), eV:	-8.34(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzhydryl-6-(3,5-dimethyltriazol-4-yl)indole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)NC(C2CC2)C3=CC=CC=C3)Br

DOS

IR

Vibrations