Geometry & MOs

Info

ID:	273556
PubChem CID:	103771369
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	333.089849
ΔH_f, kcal/mol:	-56.35
Dipole, Da:	4.1
IP(EA), eV:	-9.95(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C(=O)NCC(CC(C)C)O)C#N

DOS

IR

Vibrations