Geometry & MOs

Info

ID:	370875
PubChem CID:	127341192
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	8.8
Dipole, Da:	6.13
IP(EA), eV:	-9.4(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylpiperazin-2-one

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC2=NN=C(N2C3CC3)C

DOS

IR

Vibrations