Geometry & MOs

Info

ID:	255174
PubChem CID:	103130526
Reduced:	N2O2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	264.98507
ΔH_f, kcal/mol:	-47.93
Dipole, Da:	4.48
IP(EA), eV:	-9.74(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyridin-2-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(CC(=O)C1=NN(C=C1)C)OC

DOS

IR

Vibrations