Geometry & MOs

Info

ID:	211965
PubChem CID:	81058995
Reduced:	NSO5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	242.235814
ΔH_f, kcal/mol:	-189.46
Dipole, Da:	7.53
IP(EA), eV:	-9.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(aminomethyl)-N-(2-ethoxyethyl)-2-ethyl-N-methylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations