Geometry & MOs

Info

ID:	123290
PubChem CID:	50840867
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	484.211055
ΔH_f, kcal/mol:	-77.46
Dipole, Da:	3.08
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2N4CCN(CC4)C(C)C)C

DOS

IR

Vibrations