Geometry & MOs

Info

ID:	123291
PubChem CID:	50840868
Reduced:	NOC7H7 (4)
Stoich.:	ABC7D7 (4)
Weight, g/mol:	482.231791
ΔH_f, kcal/mol:	-59.19
Dipole, Da:	4.25
IP(EA), eV:	-9.04(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CC5=CC=CC=C5

DOS

IR

Vibrations