Geometry & MOs

Info

ID:	350313
PubChem CID:	127277391
Reduced:	SN2O2C20H30 (1)
Stoich.:	AB2C2D20E30 (1)
Weight, g/mol:	373.272927
ΔH_f, kcal/mol:	-94.47
Dipole, Da:	3.21
IP(EA), eV:	-8.67(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexyl-2-hydroxyethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CNC(=O)C2=CC=C(C=C2)CN3CCSCC3)O

DOS

IR

Vibrations