Geometry & MOs

Info

ID:	123117
PubChem CID:	50834549
Reduced:	O2N4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	426.169191
ΔH_f, kcal/mol:	-4.43
Dipole, Da:	5.6
IP(EA), eV:	-8.35(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=NC2=O)N(C)C4=CC=CC=C4)C

DOS

IR

Vibrations