Geometry & MOs

Info

ID:	310688
PubChem CID:	126584309
Reduced:	BrNC17H34 (2)
Stoich.:	ABC17D34 (2)
Weight, g/mol:	278.090272
ΔH_f, kcal/mol:	-130.2
Dipole, Da:	4.45
IP(EA), eV:	-8.52(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-methoxy-2-methyl-4-nitro-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CCC(CCCC1CCN(CC1)CCCCCCCCCCBr)CCN(C)CCCCCCCCCCBr

DOS

IR

Vibrations