Geometry & MOs

Info

ID:	62760
PubChem CID:	26736652
Reduced:	N3O5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	445.260351
ΔH_f, kcal/mol:	-86.12
Dipole, Da:	7.98
IP(EA), eV:	-8.94(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpiperidin-1-ium-4-yl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations