Geometry & MOs

Info

ID:	262226
PubChem CID:	103277698
Reduced:	OC19H36 (1)
Stoich.:	AB19C36 (1)
Weight, g/mol:	323.08848
ΔH_f, kcal/mol:	-119.13
Dipole, Da:	1.33
IP(EA), eV:	-9.17(1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromoanilino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol

Drug info:

PubChemData

Smile

CCCCCCCCCCC(C1CC(C=C(C1)C)C)O

DOS

IR

Vibrations