Geometry & MOs

Info

ID:	131312
PubChem CID:	51189128
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	0.89
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations