Geometry & MOs

Info

ID:	255805
PubChem CID:	103134821
Reduced:	BrSN3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	279.03711
ΔH_f, kcal/mol:	69.08
Dipole, Da:	5.92
IP(EA), eV:	-8.89(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-methylphenyl)-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(C2=NN(C=C2)C)N)Br

DOS

IR

Vibrations