Geometry & MOs

Info

ID:	174109
PubChem CID:	75725231
Reduced:	ClN2O3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	338.13972
ΔH_f, kcal/mol:	-147.89
Dipole, Da:	3.21
IP(EA), eV:	-9.57(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC=CC(C(=O)NC(C)(C)CC(C)(C)C)N(C1=CC(=CC=C1)Cl)C(=O)CO

DOS

IR

Vibrations