Geometry & MOs

Info

ID:	273417
PubChem CID:	103771081
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	295.1606
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	3.36
IP(EA), eV:	-8.38(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)NCC(CC(C)C)O)C

DOS

IR

Vibrations