Geometry & MOs

Info

ID:	309122
PubChem CID:	126537912
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	313.27695
ΔH_f, kcal/mol:	-74.25
Dipole, Da:	4.28
IP(EA), eV:	-8.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethenyl-2-(4-ethyl-3-hexylphenyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

C[C@H]1CCC(/C(=C\C(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C34)/N1)O

DOS

IR

Vibrations