Geometry & MOs

Info

ID:	277090
PubChem CID:	103826671
Reduced:	BrClNOC12H13 (1)
Stoich.:	ABCDE12F13 (1)
Weight, g/mol:	369.02435
ΔH_f, kcal/mol:	-9.43
Dipole, Da:	4.3
IP(EA), eV:	-9.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CC1)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations