Geometry & MOs

Info

ID:	403066
PubChem CID:	135058589
Reduced:	NaO2H21C24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	362.272199
ΔH_f, kcal/mol:	-73.3
Dipole, Da:	7.84
IP(EA), eV:	-8.8(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-benzylpyridin-2-yl)-cyclohexylmethyl]cyclohexanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=CC=CC=C2C(C)(C3=CC=CC=C3)C(=O)[O-].[Na+]

DOS

IR

Vibrations