Geometry & MOs

Info

ID:	438212
PubChem CID:	135227906
Reduced:	FO2N6H21C23 (1)
Stoich.:	AB2C6D21E23 (1)
Weight, g/mol:	482.27941
ΔH_f, kcal/mol:	78.17
Dipole, Da:	4.34
IP(EA), eV:	-9.23(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethyltriazol-4-yl)-3-(3,3-dipyridin-2-ylpropyl)-2-ethoxy-2-ethyl-1,3-dihydroindole

Drug info:

PubChemData

Smile

CCN1C(=C(N=N1)C)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C3=CC=CC=C3)C4=C(C=CC=N4)F

DOS

IR

Vibrations