Geometry & MOs

Info

ID:	355597
PubChem CID:	127289355
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	328.201159
ΔH_f, kcal/mol:	-21.02
Dipole, Da:	5.47
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1-methylpyrazol-4-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations