Geometry & MOs

Info

ID:	363434
PubChem CID:	127311237
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-132.64
Dipole, Da:	5.77
IP(EA), eV:	-9.01(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NC2CCCOC3=CC=CC=C23)C(=O)N4CCCC4

DOS

IR

Vibrations