Geometry & MOs

Info

ID:	291445
PubChem CID:	112379013
Reduced:	SN2O2C18H24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-71.99
Dipole, Da:	3.84
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(3-hydroxy-4-phenylbutan-2-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CC(=O)NC(C)C(CC2=CC=CC=C2)O

DOS

IR

Vibrations