Geometry & MOs

Info

ID:	333740
PubChem CID:	127252292
Reduced:	O2N6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	422.243024
ΔH_f, kcal/mol:	-2.94
Dipole, Da:	5.55
IP(EA), eV:	-9.39(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(cyclohexylmethyl)-4-methyl-2-[1-(1H-pyrazole-5-carbonyl)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)C4=CC=NN4)CCCC5=CC=CC=C5

DOS

IR

Vibrations