Geometry & MOs

Info

ID:	355926
PubChem CID:	127290778
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	303.180758
ΔH_f, kcal/mol:	-76.73
Dipole, Da:	7.93
IP(EA), eV:	-9.01(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-(triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCCC1C(=O)N2CCN(CC2)CC3=NC=CN3C

DOS

IR

Vibrations