Geometry & MOs

Info

ID:	67301
PubChem CID:	46506241
Reduced:	N4O7C25H30 (1)
Stoich.:	A4B7C25D30 (1)
Weight, g/mol:	508.232185
ΔH_f, kcal/mol:	-256.3
Dipole, Da:	4.62
IP(EA), eV:	-8.47(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCCOC)OC)OC

DOS

IR

Vibrations