Geometry & MOs

Info

ID:	29258
PubChem CID:	832639
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-113.41
Dipole, Da:	5.89
IP(EA), eV:	-9.15(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2[C@H]3[C@@H]2CCCC3

DOS

IR

Vibrations