Geometry & MOs

Info

ID:	265530
PubChem CID:	103528474
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	32.73
Dipole, Da:	4.94
IP(EA), eV:	-9.87(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hex-1-yn-3-yl-4-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(C#C)NC(=O)C1=C(N=NC(=C1)C)CC

DOS

IR

Vibrations