Geometry & MOs

Info

ID:	408063
PubChem CID:	135080818
Reduced:	OSN2C6H14 (1)
Stoich.:	ABC2D6E14 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-58.04
Dipole, Da:	5.06
IP(EA), eV:	-8.62(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[hydroxy(phenyl)methylidene]butanamide

Drug info:

PubChemData

Smile

CSCCC[C@H](C(=O)N)N

DOS

IR

Vibrations