Geometry & MOs

Info

ID:	255807
PubChem CID:	103134837
Reduced:	NOSC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	344.92992
ΔH_f, kcal/mol:	-39.04
Dipole, Da:	1.05
IP(EA), eV:	-8.39(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CSC2=CC=CC(=C2)N

DOS

IR

Vibrations