Geometry & MOs

Info

ID:	355630
PubChem CID:	127289388
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	34.17
Dipole, Da:	7.45
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)C=CN4

DOS

IR

Vibrations