Geometry & MOs

Info

ID:	196884
PubChem CID:	78889514
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	389.9883
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	7.39
IP(EA), eV:	-8.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CC(=O)NCC2=CC=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations