Geometry & MOs

Info

ID:	277349
PubChem CID:	103827999
Reduced:	BrNO2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	253.150036
ΔH_f, kcal/mol:	-95.44
Dipole, Da:	3.86
IP(EA), eV:	-8.95(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethylcyclohexyl)amino]-1-thiophen-3-ylethanol

Drug info:

PubChemData

Smile

CC(C)(C)CC(CNCC1=C(C=CC(=C1)OC)Br)O

DOS

IR

Vibrations