Geometry & MOs

Info

ID:	318533
PubChem CID:	126651781
Reduced:	N2C18H27 (1)
Stoich.:	A2B18C27 (1)
Weight, g/mol:	310.262028
ΔH_f, kcal/mol:	52.28
Dipole, Da:	5.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.257506
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-[2-(diethylamino)ethyl]-2-(2,2-dimethylpropanoyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C(=C/C=C)\C1=CC=[N+](C=C1)CCCCN(C)C

DOS

IR

Vibrations