Geometry & MOs

Info

ID:	83823
PubChem CID:	49861599
Reduced:	O2N3C19H35 (1)
Stoich.:	A2B3C19D35 (1)
Weight, g/mol:	426.299476
ΔH_f, kcal/mol:	-124.1
Dipole, Da:	5.04
IP(EA), eV:	-8.68(1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1CCCC2C1NC3CC(CCC3C2)OC

DOS

IR

Vibrations