Geometry & MOs

Info

ID:	379445
PubChem CID:	134419506
Reduced:	NSC4H7 (2)
Stoich.:	ABC4D7 (2)
Weight, g/mol:	399.277344
ΔH_f, kcal/mol:	29.47
Dipole, Da:	4.58
IP(EA), eV:	-8.82(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-2-(hydroxymethyl)-6-(2-pentoxyethyl)naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)/C=C/1\CSC(=S)N1N

DOS

IR

Vibrations