Geometry & MOs

Info

ID:	202422
PubChem CID:	79671065
Reduced:	SN2O4C9H14 (1)
Stoich.:	AB2C4D9E14 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-133.77
Dipole, Da:	3.5
IP(EA), eV:	-9.25(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-cyanomorpholine-4-carbonyl)amino]-4-methylbenzoic acid

Drug info:

PubChemData

Smile

C1=COC(=C1C(=O)NN)CSCC(CO)O

DOS

IR

Vibrations