Geometry & MOs

Info

ID:	310654
PubChem CID:	126584122
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	-30.37
Dipole, Da:	6.08
IP(EA), eV:	-8.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2-dimethyl-4-nitro-5-pyridin-4-ylindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C)C=CC(=C2)C3=CC=NC=C3)CC(C(=O)O)N

DOS

IR

Vibrations