Geometry & MOs

Info

ID:	333262
PubChem CID:	127251811
Reduced:	O2N5C23H31 (1)
Stoich.:	A2B5C23D31 (1)
Weight, g/mol:	411.207053
ΔH_f, kcal/mol:	-33.87
Dipole, Da:	7.5
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)C(=O)CCC4=CC=CC=C4OC

DOS

IR

Vibrations