Geometry & MOs

Info

ID:	310691
PubChem CID:	126584316
Reduced:	N3O5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-115.02
Dipole, Da:	2.36
IP(EA), eV:	-8.89(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-amino-1,2-dimethyl-7-nitroindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CC(=C2N1)[N+](=O)[O-])N3CCOCC3)CCC(=O)O

DOS

IR

Vibrations