Geometry & MOs

Info

ID:	41479
PubChem CID:	8145945
Reduced:	FO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	304.052717
ΔH_f, kcal/mol:	-47.57
Dipole, Da:	4.02
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(=O)N/N=C\C2=CC=CC=C2F

DOS

IR

Vibrations