Geometry & MOs

Info

ID:	332615
PubChem CID:	127250901
Reduced:	O2N4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	415.204196
ΔH_f, kcal/mol:	-13.0
Dipole, Da:	6.34
IP(EA), eV:	-8.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2CCCN(C2=NC(=N1)C3CCN(C3)C(=O)C4=CC(=CC=C4)OC)CC5=CC=CC=C5

DOS

IR

Vibrations