Geometry & MOs

Info

ID:	135095
PubChem CID:	51813603
Reduced:	NOC9H18 (2)
Stoich.:	ABC9D18 (2)
Weight, g/mol:	308.246378
ΔH_f, kcal/mol:	-152.79
Dipole, Da:	6.66
IP(EA), eV:	-9.34(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-2-[butanoyl(propyl)amino]-N-cyclohexylpent-3-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C(CC)CC)N(CCC)C(=O)CCC

DOS

IR

Vibrations