Geometry & MOs

Info

ID:	83820
PubChem CID:	49861585
Reduced:	O2N4C27H42 (1)
Stoich.:	A2B4C27D42 (1)
Weight, g/mol:	484.237182
ΔH_f, kcal/mol:	-110.16
Dipole, Da:	5.27
IP(EA), eV:	-8.85(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-11-oxo-N-(4-piperidin-3-ylbutyl)-1,2,3,4,4a,11a-hexahydropyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)C1CCC2C(C1)C(=O)N3C=C(C=CC3=N2)C(=O)NCCCCCCC4CCCNC4

DOS

IR

Vibrations