Geometry & MOs

Info

ID:	131315
PubChem CID:	51189196
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	332.108482
ΔH_f, kcal/mol:	-168.79
Dipole, Da:	8.81
IP(EA), eV:	-8.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)CCN3C(=O)C4CCCCC4C3=O

DOS

IR

Vibrations