Geometry & MOs

Info

ID:	37841
PubChem CID:	8025038
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	349.227989
ΔH_f, kcal/mol:	-23.08
Dipole, Da:	1.5
IP(EA), eV:	-8.96(1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-cyano-4-phenylcyclohexyl)-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

COCCCNC[C@H]1C[C@H]2C[C@H]1C=C2

DOS

IR

Vibrations