Geometry & MOs

Info

ID:	198610
PubChem CID:	79125110
Reduced:	BrNOH16C18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	309.185942
ΔH_f, kcal/mol:	15.98
Dipole, Da:	3.67
IP(EA), eV:	-9.15(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)-4-propylcyclohexyl]-1-(2-chlorophenyl)ethanol

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C(C1)(C#N)C(C3=CC=CC=C3Br)O

DOS

IR

Vibrations