Geometry & MOs

Info

ID:	367387
PubChem CID:	127324396
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	13.22
Dipole, Da:	2.64
IP(EA), eV:	-9.14(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)NCCN3C=CC=N3

DOS

IR

Vibrations