Geometry & MOs

Info

ID:	266835
PubChem CID:	103579719
Reduced:	BrNSO2C13H20 (1)
Stoich.:	ABCD2E13F20 (1)
Weight, g/mol:	307.06841
ΔH_f, kcal/mol:	-95.1
Dipole, Da:	5.39
IP(EA), eV:	-8.27(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylaniline

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCCNC1=CC(=C(C(=C1)C)Br)C

DOS

IR

Vibrations