Geometry & MOs

Info

ID:	180651
PubChem CID:	76664689
Reduced:	ON2C8H10 (3)
Stoich.:	AB2C8D10 (3)
Weight, g/mol:	421.222623
ΔH_f, kcal/mol:	-42.44
Dipole, Da:	4.65
IP(EA), eV:	-8.34(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methylpiperazin-1-yl)-5-(4-morpholin-4-ylanilino)-4aH-pyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1C2CCC(CC2NN1)NC3=C4C(=CC(=N3)C5=CC(=C(C=C5)OC)OC)N=CN(C4=O)C

DOS

IR

Vibrations