Geometry & MOs

Info

ID:	355705
PubChem CID:	127289778
Reduced:	ON7C19H19 (1)
Stoich.:	AB7C19D19 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	80.75
Dipole, Da:	7.84
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3C(=NN=C3N(C2=O)C)CN4CCC5=CN=CN=C5C4

DOS

IR

Vibrations