Geometry & MOs

Info

ID:	77814
PubChem CID:	49661613
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	466.22162
ΔH_f, kcal/mol:	-147.52
Dipole, Da:	5.63
IP(EA), eV:	-8.95(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,5-dimethoxyphenyl)-4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2N4CCCCCC4)OC

DOS

IR

Vibrations