Geometry & MOs

Info

ID:	367443
PubChem CID:	127324626
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-36.38
Dipole, Da:	1.41
IP(EA), eV:	-8.86(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCC(C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations