Geometry & MOs

Info

ID:	177221
PubChem CID:	76147613
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	315.144613
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	2.0
IP(EA), eV:	-8.95(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(CNC(=O)CC2=C(ON=C2C)C)O

DOS

IR

Vibrations