Geometry & MOs

Info

ID:	35577
PubChem CID:	7980057
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	244.206525
ΔH_f, kcal/mol:	-49.97
Dipole, Da:	1.07
IP(EA), eV:	-8.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R,2S,3R)-2,3-dimethylcyclohexyl]-[(E)-3-phenylprop-2-enyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)C(C)(C)C)C

DOS

IR

Vibrations