Geometry & MOs

Info

ID:	360428
PubChem CID:	127301073
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	51.46
Dipole, Da:	7.0
IP(EA), eV:	-8.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylbenzoyl)piperidin-3-yl]-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(CCC3)C(=N2)C(=O)N4CCCC(C4)N5C=C(C=N5)C

DOS

IR

Vibrations