Geometry & MOs

Info

ID:	335819
PubChem CID:	127254681
Reduced:	ON7C19H25 (1)
Stoich.:	AB7C19D25 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	62.23
Dipole, Da:	5.81
IP(EA), eV:	-9.06(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylpyrrol-1-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=CC=CC=C3N2C)N4C=NN=N4

DOS

IR

Vibrations