Geometry & MOs

Info

ID:	355595
PubChem CID:	127289353
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	344.23246
ΔH_f, kcal/mol:	-16.24
Dipole, Da:	4.36
IP(EA), eV:	-8.95(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCOCC4

DOS

IR

Vibrations