Geometry & MOs

Info

ID:	255658
PubChem CID:	103133820
Reduced:	BrON2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	28.83
Dipole, Da:	4.42
IP(EA), eV:	-9.49(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)C2=NN(C=C2)C)Br

DOS

IR

Vibrations