Geometry & MOs

Info

ID:	30779
PubChem CID:	841863
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-31.09
Dipole, Da:	3.99
IP(EA), eV:	-9.32(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C(=O)N[C@H](C)C2=CC=C(C=C2)C

DOS

IR

Vibrations