Geometry & MOs

Info

ID:	333291
PubChem CID:	127251843
Reduced:	F2O3N5C22H25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-163.2
Dipole, Da:	4.91
IP(EA), eV:	-9.24(-0.61)
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]-3-(1H-indol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)C(=NC(=N2)C3CCN(C3)C(=O)COC4=C(C=C(C=C4)F)F)NC

DOS

IR

Vibrations