Geometry & MOs

Info

ID:	37910
PubChem CID:	8025516
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	-18.96
Dipole, Da:	1.4
IP(EA), eV:	-9.46(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-(3-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C(=O)CN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations