Geometry & MOs

Info

ID:	209472
PubChem CID:	80677812
Reduced:	BrNOF3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	271.03202
ΔH_f, kcal/mol:	-153.15
Dipole, Da:	3.61
IP(EA), eV:	-10.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(bromomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CC1Br)C(=O)C2=CC(=C(C(=C2)F)F)F

DOS

IR

Vibrations