Geometry & MOs

Info

ID:	183684
PubChem CID:	77056438
Reduced:	NCl2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	-94.4
Dipole, Da:	4.37
IP(EA), eV:	-9.59(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpent-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C=CC1=CC(=C(C=C1)Cl)Cl)O

DOS

IR

Vibrations