Geometry & MOs

Info

ID:	266673
PubChem CID:	103578867
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	261.134049
ΔH_f, kcal/mol:	-91.11
Dipole, Da:	2.82
IP(EA), eV:	-9.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCOCC(=O)N[C@H](C)C1=CC(=CC=C1)Cl

DOS

IR

Vibrations