Geometry & MOs

Info

ID:	277039
PubChem CID:	103826386
Reduced:	BrClNOH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	369.02435
ΔH_f, kcal/mol:	1.88
Dipole, Da:	4.29
IP(EA), eV:	-9.64(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations