Geometry & MOs

Info

ID:	192128
PubChem CID:	78232760
Reduced:	ClN3O3H22C25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-7.03
Dipole, Da:	9.38
IP(EA), eV:	-8.62(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-fluoro-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCN(CC2=NC(=O)C3C=CC=CC3=N2)C(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations