Geometry & MOs

Info

ID:	128350
PubChem CID:	51040885
Reduced:	Cl2N3O3C22H23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	458.167808
ΔH_f, kcal/mol:	-43.18
Dipole, Da:	6.28
IP(EA), eV:	-8.72(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyridin-4-yl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC1C(=O)NC2=CC(=CC=C2)OCC3=NOC(=C3)C4=CC=C(C=C4)Cl.Cl

DOS

IR

Vibrations