Geometry & MOs

Info

ID:	67309
PubChem CID:	46506253
Reduced:	N2O4C13H16 (2)
Stoich.:	A2B4C13D16 (2)
Weight, g/mol:	534.211449
ΔH_f, kcal/mol:	-291.72
Dipole, Da:	7.24
IP(EA), eV:	-9.03(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCCOC)OC)OC

DOS

IR

Vibrations