Geometry & MOs

Info

ID:	404022
PubChem CID:	135064514
Reduced:	BrN2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	207.173548
ΔH_f, kcal/mol:	88.57
Dipole, Da:	1.72
IP(EA), eV:	-8.61(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylpyrazol-3-yl)-3,5-dimethylpiperidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=C2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations