Geometry & MOs

Info

ID:	283078
PubChem CID:	103956688
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-59.09
Dipole, Da:	2.18
IP(EA), eV:	-9.23(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-N-ethyl-4-hydroxy-3-methylbenzamide

Drug info:

PubChemData

Smile

CCCC(C1=CC=CS1)NC(=O)C2=CC(=C(C=C2)O)C

DOS

IR

Vibrations