Geometry & MOs

Info

ID:	39090
PubChem CID:	8139675
Reduced:	ON2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-28.92
Dipole, Da:	1.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003106
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2CCCCC2

DOS

IR

Vibrations