Geometry & MOs

Info

ID:	128347
PubChem CID:	51040768
Reduced:	F3O3N6H21C22 (1)
Stoich.:	A3B3C6D21E22 (1)
Weight, g/mol:	487.183124
ΔH_f, kcal/mol:	-174.38
Dipole, Da:	4.58
IP(EA), eV:	-8.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(6-methylpyridin-3-yl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C1=CN(N=N1)CC2=CC3=CC(=C(N3C=C2)C4=CN(C(=O)C=C4)C)C(=O)N)(C(F)(F)F)O

DOS

IR

Vibrations