Geometry & MOs

Info

ID:	182264
PubChem CID:	76867238
Reduced:	FO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	455.161184
ΔH_f, kcal/mol:	-52.2
Dipole, Da:	6.95
IP(EA), eV:	-8.79(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-chlorophenyl)methoxy]phenyl]-3-(2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CON=C(CC2=CC=CC=C2)N)F

DOS

IR

Vibrations