Geometry & MOs

Info

ID:	172721
PubChem CID:	75543935
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-158.08
Dipole, Da:	7.57
IP(EA), eV:	-9.7(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCC(=O)N(C2=O)CC(=O)O

DOS

IR

Vibrations