Geometry & MOs

Info

ID:	67311
PubChem CID:	46506256
Reduced:	N4O7C28H30 (1)
Stoich.:	A4B7C28D30 (1)
Weight, g/mol:	534.211449
ΔH_f, kcal/mol:	-219.13
Dipole, Da:	9.15
IP(EA), eV:	-8.87(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCC4=CC=CO4)OC)OC

DOS

IR

Vibrations