Geometry & MOs

Info

ID:	170218
PubChem CID:	75208793
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	375.231063
ΔH_f, kcal/mol:	-124.37
Dipole, Da:	6.82
IP(EA), eV:	-8.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CCC1CCCCN1CC(=O)NC2=CC=C(C=C2)C=CC(=O)OCC

DOS

IR

Vibrations