Geometry & MOs

Info

ID:	67300
PubChem CID:	46506238
Reduced:	N5O7C26H31 (1)
Stoich.:	A5B7C26D31 (1)
Weight, g/mol:	498.211449
ΔH_f, kcal/mol:	-184.18
Dipole, Da:	5.66
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6,7-dimethoxy-1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCCCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC

DOS

IR

Vibrations