Geometry & MOs

Info

ID:	130387
PubChem CID:	51075794
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	2.29
IP(EA), eV:	-9.48(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCCN1C=CN=C1

DOS

IR

Vibrations