Geometry & MOs

Info

ID:	280620
PubChem CID:	103850276
Reduced:	ON4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	293.235479
ΔH_f, kcal/mol:	4.78
Dipole, Da:	2.55
IP(EA), eV:	-9.25(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxycyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NC1=CC=CC(=N1)C#N

DOS

IR

Vibrations