Geometry & MOs

Info

ID:	333337
PubChem CID:	127251889
Reduced:	O2N5C26H35 (1)
Stoich.:	A2B5C26D35 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	-42.81
Dipole, Da:	5.22
IP(EA), eV:	-8.82(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclohexylsulfonylpyrrolidin-3-yl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)C(=O)C4(CCCCC4)OC5=CC=CC=C5

DOS

IR

Vibrations