Geometry & MOs

Info

ID:	413064
PubChem CID:	135086008
Reduced:	OC21H36 (1)
Stoich.:	AB21C36 (1)
Weight, g/mol:	290.090272
ΔH_f, kcal/mol:	-68.36
Dipole, Da:	1.36
IP(EA), eV:	-9.1(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(3Z)-3-[(hydroxyamino)methylidene]indol-2-yl]propanedioate

Drug info:

PubChemData

Smile

C1CCCCC2=C=C(CCC1)CCCCCOCCCCC2

DOS

IR

Vibrations