Geometry & MOs

Info

ID:	310625
PubChem CID:	126583934
Reduced:	N5C23H45 (1)
Stoich.:	A5B23C45 (1)
Weight, g/mol:	278.090272
ΔH_f, kcal/mol:	-22.0
Dipole, Da:	5.7
IP(EA), eV:	-7.9(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-hydroxy-1,2-dimethyl-4-nitroindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CCN(CCCCCCCCCCCCN1C=CN=C1C)/C=C\NCCCN

DOS

IR

Vibrations