Geometry & MOs

Info

ID:	199066
PubChem CID:	79193515
Reduced:	NSO4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	-168.24
Dipole, Da:	5.3
IP(EA), eV:	-9.62(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyano-2-(methoxymethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CCCO

DOS

IR

Vibrations