Geometry & MOs

Info

ID:	355649
PubChem CID:	127289407
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	-62.1
Dipole, Da:	7.81
IP(EA), eV:	-9.04(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCC(CC1=O)C(=O)N2CCN(CC2)CC3=NC=CN3C

DOS

IR

Vibrations