Geometry & MOs

Info

ID:	424215
PubChem CID:	135121758
Reduced:	N3C13H13 (1)
Stoich.:	A3B13C13 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	104.1
Dipole, Da:	1.1
IP(EA), eV:	-8.66(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-(2-pyrrol-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C2=CC=CC=C2)N=N

DOS

IR

Vibrations