Geometry & MOs

Info

ID:	333340
PubChem CID:	127251892
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	17.35
Dipole, Da:	7.1
IP(EA), eV:	-9.04(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(methylamino)-7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)C)C3CCN(C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations