Geometry & MOs

Info

ID:	135049
PubChem CID:	51804962
Reduced:	N2O2C21H38 (1)
Stoich.:	A2B2C21D38 (1)
Weight, g/mol:	350.293328
ΔH_f, kcal/mol:	-144.21
Dipole, Da:	2.94
IP(EA), eV:	-9.44(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-N-butyl-2-[3-cyclohexylpropanoyl(propyl)amino]pent-3-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](/C=C\C)N(CCC)C(=O)CCC1CCCCC1

DOS

IR

Vibrations