Geometry & MOs

Info

ID:	279154
PubChem CID:	103841721
Reduced:	BrClNO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	369.02435
ΔH_f, kcal/mol:	-73.6
Dipole, Da:	2.84
IP(EA), eV:	-9.94(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)benzamide

Drug info:

PubChemData

Smile

C1COCCC1NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations