Geometry & MOs

Info

ID:	173852
PubChem CID:	75690827
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	404.161518
ΔH_f, kcal/mol:	-47.42
Dipole, Da:	4.29
IP(EA), eV:	-8.95(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6-chloro-3,4-dihydro-2H-quinoline-1-carbonyl)-1-propyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)NCC(C2=CC=CO2)N(C)C)C

DOS

IR

Vibrations