Geometry & MOs

Info

ID:	370603
PubChem CID:	127339745
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	383.151288
ΔH_f, kcal/mol:	37.84
Dipole, Da:	6.98
IP(EA), eV:	-9.44(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)C2=CN(N=C2)C)N3C=NC=N3

DOS

IR

Vibrations