Geometry & MOs

Info

ID:	77803
PubChem CID:	49661567
Reduced:	FN4O4H25C27 (1)
Stoich.:	AB4C4D25E27 (1)
Weight, g/mol:	471.190654
ΔH_f, kcal/mol:	-103.9
Dipole, Da:	4.53
IP(EA), eV:	-8.21(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-methoxyphenyl)-4-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3C5=CC=C(C=C5)F

DOS

IR

Vibrations