Geometry & MOs

Info

ID:	192127
PubChem CID:	78232759
Reduced:	ClN3O3H20C24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	447.134969
ΔH_f, kcal/mol:	-1.91
Dipole, Da:	5.82
IP(EA), eV:	-8.69(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN(CC2=NC(=O)C3C=CC=CC3=N2)C(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations