Geometry & MOs

Info

ID:	123118
PubChem CID:	50834596
Reduced:	O3N4H22C25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	-29.77
Dipole, Da:	9.5
IP(EA), eV:	-9.09(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations