Geometry & MOs

Info

ID:	431431
PubChem CID:	135171508
Reduced:	NH12C16 (2)
Stoich.:	AB12C16 (2)
Weight, g/mol:	281.271865
ΔH_f, kcal/mol:	120.28
Dipole, Da:	2.37
IP(EA), eV:	-8.09(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylpentyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)C3=C(N2C4=CC=CC=C4)C=CC(=C3)C5=CC6=C(C=C5)C7=CC=CC=C7N6

DOS

IR

Vibrations