Geometry & MOs

Info

ID:	88679
PubChem CID:	49956058
Reduced:	ClON4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	326.188682
ΔH_f, kcal/mol:	43.79
Dipole, Da:	2.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.879713
Charge, e:	-1

Chem-info

IUPAC name:

N-[(3,4-diethoxyphenyl)methyl]-4-methylcyclohexan-1-amine;chloride

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)N(C(=C2C)C(=O)N3CCN(CC3)C4=CC=CC=N4)C.[Cl-]

DOS

IR

Vibrations