Geometry & MOs

Info

ID:	56371
PubChem CID:	17425208
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	377.148789
ΔH_f, kcal/mol:	-13.81
Dipole, Da:	3.93
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NCC(=O)NC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations