Geometry & MOs

Info

ID:	178673
PubChem CID:	76366893
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-116.67
Dipole, Da:	4.77
IP(EA), eV:	-8.9(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=NC(=O)C(C=C2C(=O)C1)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4)C

DOS

IR

Vibrations