Geometry & MOs

Info

ID:	77804
PubChem CID:	49661571
Reduced:	O4N5H25C26 (1)
Stoich.:	A4B5C25D26 (1)
Weight, g/mol:	473.195071
ΔH_f, kcal/mol:	-46.21
Dipole, Da:	4.3
IP(EA), eV:	-8.74(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[cyclopentyl(furan-2-ylmethyl)amino]-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2N4CCN(CC4)C5=CC=CC=N5

DOS

IR

Vibrations