Geometry & MOs

Info

ID:	333672
PubChem CID:	127252224
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	446.268176
ΔH_f, kcal/mol:	-64.14
Dipole, Da:	4.89
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)N(C2=NC(=N1)C3CCN(C3)C(=O)CC4=CC=CC=C4)CC(C)C

DOS

IR

Vibrations