Geometry & MOs

Info

ID:	129781
PubChem CID:	51073829
Reduced:	N3O3H17C20 (1)
Stoich.:	A3B3C17D20 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-26.04
Dipole, Da:	3.26
IP(EA), eV:	-9.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-methoxyphenyl)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C(=O)NC2=CC=C(C=C2)C(=O)C3=NC=CN3C

DOS

IR

Vibrations