Geometry & MOs

Info

ID:	69186
PubChem CID:	46530380
Reduced:	N4O5H20C24 (1)
Stoich.:	A4B5C20D24 (1)
Weight, g/mol:	397.153875
ΔH_f, kcal/mol:	-73.7
Dipole, Da:	3.01
IP(EA), eV:	-9.01(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylbenzoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CO4

DOS

IR

Vibrations