Geometry & MOs

Info

ID:	333670
PubChem CID:	127252222
Reduced:	O2F3N5C21H22 (1)
Stoich.:	A2B3C5D21E22 (1)
Weight, g/mol:	438.299476
ΔH_f, kcal/mol:	-131.62
Dipole, Da:	4.0
IP(EA), eV:	-8.63(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C3=NC=CN=C3)CCOC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations