Geometry & MOs

Info

ID:	355637
PubChem CID:	127289395
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	379.212058
ΔH_f, kcal/mol:	-89.4
Dipole, Da:	5.93
IP(EA), eV:	-8.92(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3COCCO3

DOS

IR

Vibrations