Geometry & MOs

Info

ID:	351960
PubChem CID:	127282878
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	377.253923
ΔH_f, kcal/mol:	-96.22
Dipole, Da:	4.9
IP(EA), eV:	-8.94(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3

DOS

IR

Vibrations