Geometry & MOs

Info

ID:	84858
PubChem CID:	49870355
Reduced:	ON3H10C11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	369.143704
ΔH_f, kcal/mol:	47.32
Dipole, Da:	11.83
IP(EA), eV:	-9.27(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-1-[5-[(E)-3-nitroso-3-oxoprop-1-enyl]-1,2-dihydrotriazol-3-yl]propyl]-1H-indole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](CN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=NC=CC(=C3)C4=CN=CC=C4)O

DOS

IR

Vibrations