Geometry & MOs

Info

ID:	151938
PubChem CID:	56310771
Reduced:	Cl2O2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	-72.3
Dipole, Da:	1.34
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations