Geometry & MOs

Info

ID:	332612
PubChem CID:	127250898
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-2.0
Dipole, Da:	5.43
IP(EA), eV:	-8.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C2CCCN(C2=NC(=N1)C3CCN(C3)C(=O)CC4=C(ON=C4C)C)CC5=CC=CC=C5

DOS

IR

Vibrations