Geometry & MOs

Info

ID:	291428
PubChem CID:	112378996
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-82.82
Dipole, Da:	2.0
IP(EA), eV:	-9.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-4-phenylbutan-2-yl)-1-methylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C(CC1=CC=CC=C1)O)NC(=O)/C=C/C2=CC=C(C=C2)C(=O)N

DOS

IR

Vibrations