Geometry & MOs

Info

ID:	123116
PubChem CID:	50834397
Reduced:	FO3N4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	412.189926
ΔH_f, kcal/mol:	-75.3
Dipole, Da:	3.52
IP(EA), eV:	-8.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations