Geometry & MOs

Info

ID:	369868
PubChem CID:	127336527
Reduced:	ON7C20H25 (1)
Stoich.:	AB7C20D25 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	72.77
Dipole, Da:	1.83
IP(EA), eV:	-8.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-3-yl-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=O)C3=NC(=CC=C3)N4C=CC=N4

DOS

IR

Vibrations