Geometry & MOs

Info

ID:	350156
PubChem CID:	127277234
Reduced:	O2N6C17H28 (1)
Stoich.:	A2B6C17D28 (1)
Weight, g/mol:	371.243359
ΔH_f, kcal/mol:	-38.72
Dipole, Da:	3.63
IP(EA), eV:	-9.12(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-propylpyrazol-3-yl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)NC(=O)N2CCN(CC2)C(C)C(=O)NC3CC3

DOS

IR

Vibrations