Geometry & MOs

Info

ID:	333720
PubChem CID:	127252272
Reduced:	O2F3N3H22C24 (1)
Stoich.:	A2B3C3D22E24 (1)
Weight, g/mol:	432.288912
ΔH_f, kcal/mol:	-165.47
Dipole, Da:	4.27
IP(EA), eV:	-9.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=CC=NC=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations