Geometry & MOs

Info

ID:	30778
PubChem CID:	841861
Reduced:	SCl2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	24.74
Dipole, Da:	6.84
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=S)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations