Geometry & MOs

Info

ID:	355619
PubChem CID:	127289377
Reduced:	ON8C19H26 (1)
Stoich.:	AB8C19D26 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	60.02
Dipole, Da:	5.62
IP(EA), eV:	-8.68(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=NNC(=C2)C(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations