Geometry & MOs

Info

ID:	174105
PubChem CID:	75725116
Reduced:	ClN2O2H31C32 (1)
Stoich.:	AB2C2D31E32 (1)
Weight, g/mol:	338.13972
ΔH_f, kcal/mol:	-9.79
Dipole, Da:	1.75
IP(EA), eV:	-9.46(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(3-chloro-N-(2-hydroxyacetyl)anilino)pent-3-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=CC=C1)N(C2=CC(=CC=C2)Cl)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations