Geometry & MOs

Info

ID:	209469
PubChem CID:	80677619
Reduced:	BrNOC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	299.06332
ΔH_f, kcal/mol:	-31.89
Dipole, Da:	5.52
IP(EA), eV:	-9.32(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(bromomethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C(=O)N3CCC(C3)Br

DOS

IR

Vibrations