Geometry & MOs

Info

ID:	267300
PubChem CID:	103581698
Reduced:	BrClNOSC12H17 (1)
Stoich.:	ABCDEF12G17 (1)
Weight, g/mol:	298.98249
ΔH_f, kcal/mol:	-34.54
Dipole, Da:	4.09
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCCSCCCO)Cl)Br

DOS

IR

Vibrations