Geometry & MOs

Info

ID:	299196
PubChem CID:	117677544
Reduced:	O3C17H26 (2)
Stoich.:	A3B17C26 (2)
Weight, g/mol:	395.330048
ΔH_f, kcal/mol:	-281.5
Dipole, Da:	8.2
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(4-ethylpiperazin-1-yl)cyclohexyl]aniline

Drug info:

PubChemData

Smile

C[C@H]1C/C=C\C[C@@H](OC(=O)CCC[C@@H]1/C(=C/C(=C/C(=C/C=C/C(=C/C[C@@H](C[C@H](C)O)O)/C)/C)/C)/C(=O)O)C(C)C

DOS

IR

Vibrations