Geometry & MOs

Info

ID:	123227
PubChem CID:	50838483
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	441.168856
ΔH_f, kcal/mol:	-45.9
Dipole, Da:	6.4
IP(EA), eV:	-8.99(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-(3-oxo-4-propylquinoxalin-2-yl)benzoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N(C2=O)CC(C)C

DOS

IR

Vibrations