Geometry & MOs

Info

ID:	123134
PubChem CID:	50834769
Reduced:	ClO3N4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	427.189592
ΔH_f, kcal/mol:	-39.18
Dipole, Da:	5.84
IP(EA), eV:	-8.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=NC=CN=C2N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations