Geometry & MOs

Info

ID:	364828
PubChem CID:	127316236
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	310.154209
ΔH_f, kcal/mol:	14.48
Dipole, Da:	4.9
IP(EA), eV:	-8.4(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)CC5=NC=CN5

DOS

IR

Vibrations