Geometry & MOs

Info

ID:	31671
PubChem CID:	856003
Reduced:	ClN3H16C21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	320.023166
ΔH_f, kcal/mol:	115.53
Dipole, Da:	3.15
IP(EA), eV:	-9.01(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-(3,4-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations