Geometry & MOs

Info

ID:	174108
PubChem CID:	75725230
Reduced:	ClN2O3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	394.202321
ΔH_f, kcal/mol:	-121.56
Dipole, Da:	7.09
IP(EA), eV:	-9.77(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-N-(2-hydroxyacetyl)anilino)-N-(2,4,4-trimethylpentan-2-yl)pent-3-enamide

Drug info:

PubChemData

Smile

CC=CC(C(=O)NC1CCCCC1)N(C2=CC(=CC=C2)Cl)C(=O)CO

DOS

IR

Vibrations