Geometry & MOs

Info

ID:	77817
PubChem CID:	49661619
Reduced:	O3N4C29H30 (1)
Stoich.:	A3B4C29D30 (1)
Weight, g/mol:	488.161518
ΔH_f, kcal/mol:	-36.93
Dipole, Da:	1.97
IP(EA), eV:	-8.77(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CC5=CC=CC=C5)C

DOS

IR

Vibrations