Geometry & MOs

Info

ID:	152289
PubChem CID:	56311188
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	426.145868
ΔH_f, kcal/mol:	-136.9
Dipole, Da:	5.03
IP(EA), eV:	-8.55(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations