Geometry & MOs

Info

ID:	333238
PubChem CID:	127251787
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	17.02
Dipole, Da:	7.37
IP(EA), eV:	-8.95(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations