Geometry & MOs

Info

ID:	131701
PubChem CID:	51248119
Reduced:	FO2N4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	-21.95
Dipole, Da:	5.08
IP(EA), eV:	-9.13(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1C=CC=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations