Geometry & MOs

Info

ID:	83821
PubChem CID:	49861586
Reduced:	ClON2C12H19 (2)
Stoich.:	ABC2D12E19 (2)
Weight, g/mol:	440.315127
ΔH_f, kcal/mol:	-162.35
Dipole, Da:	6.15
IP(EA), eV:	-9.04(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-oxo-N-(5-piperidin-3-ylpentyl)-2-propan-2-yl-1,2,3,4,4a,11a-hexahydropyrido[2,1-b]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC1CC2C(CC1C)N=C3C=CC(=CN3C2=O)C(=O)NCCCCC4CCCNC4.Cl.Cl

DOS

IR

Vibrations