Geometry & MOs

Info

ID:	364233
PubChem CID:	127314537
Reduced:	ON3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-5.31
Dipole, Da:	7.55
IP(EA), eV:	-9.2(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=O)NN2C)C)CC(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations