Geometry & MOs

Info

ID:	205263
PubChem CID:	80077392
Reduced:	NOH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	315.2232
ΔH_f, kcal/mol:	2.66
Dipole, Da:	0.53
IP(EA), eV:	-9.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C(=O)NC2=CC=CC=C2C#CCO

DOS

IR

Vibrations