Geometry & MOs

Info

ID:	320195
PubChem CID:	126658655
Reduced:	NSC4H9 (2)
Stoich.:	ABC4D9 (2)
Weight, g/mol:	235.193614
ΔH_f, kcal/mol:	-20.03
Dipole, Da:	2.83
IP(EA), eV:	-8.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CCNC1CCC(CC1)NSS

DOS

IR

Vibrations