Geometry & MOs

Info

ID:	126548
PubChem CID:	50967612
Reduced:	ON3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	40.94
Dipole, Da:	6.24
IP(EA), eV:	-8.99(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[2-(benzotriazol-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC3=C2C(CC(=O)NC3)C4=CC=CC(=C4)C=C)C=C1

DOS

IR

Vibrations