Geometry & MOs

Info

ID:	39934
PubChem CID:	8143229
Reduced:	O4N5C21H24 (1)
Stoich.:	A4B5C21D24 (1)
Weight, g/mol:	409.175004
ΔH_f, kcal/mol:	-78.39
Dipole, Da:	5.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754633
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxyethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-(phenylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

COCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations