Geometry & MOs

Info

ID:	368086
PubChem CID:	127327456
Reduced:	O2S2N5C16H21 (1)
Stoich.:	A2B2C5D16E21 (1)
Weight, g/mol:	357.252861
ΔH_f, kcal/mol:	-2.96
Dipole, Da:	5.61
IP(EA), eV:	-8.78(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CC2)N3CCN(CC3)S(=O)(=O)C4=CSC(=N4)C

DOS

IR

Vibrations