Geometry & MOs

Info

ID:	190667
PubChem CID:	78038310
Reduced:	NO5C26H31 (1)
Stoich.:	AB5C26D31 (1)
Weight, g/mol:	414.196173
ΔH_f, kcal/mol:	-162.01
Dipole, Da:	2.76
IP(EA), eV:	-8.34(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[4-chloro-3-[(4-hydroxyphenyl)methyl]phenyl]-4-ethyl-2,3-dimethylcyclohexyl] acetate

Drug info:

PubChemData

Smile

CC1CC12CN(CC2C3=CC(=C(C=C3)OC)OC4CC5=CC=CC=C5C4)C(=O)C(CO)O

DOS

IR

Vibrations