Geometry & MOs

Info

ID:	332617
PubChem CID:	127250903
Reduced:	ON4C23H30 (1)
Stoich.:	AB4C23D30 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-16.3
Dipole, Da:	7.56
IP(EA), eV:	-8.83(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzyl-4-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=C2CCCN(C2=NC(=N1)C3CCN(C3)C(=O)C(C)C)CC4=CC=CC=C4

DOS

IR

Vibrations