Geometry & MOs

Info

ID:	347052
PubChem CID:	127271556
Reduced:	O2N7C14H23 (1)
Stoich.:	A2B7C14D23 (1)
Weight, g/mol:	363.238273
ΔH_f, kcal/mol:	-17.71
Dipole, Da:	4.8
IP(EA), eV:	-9.41(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CN2CCN(CC2)C(=O)NCCN3C=NC=N3

DOS

IR

Vibrations