Geometry & MOs

Info

ID:	205264
PubChem CID:	80077408
Reduced:	NSO2C17H33 (1)
Stoich.:	ABC2D17E33 (1)
Weight, g/mol:	342.04801
ΔH_f, kcal/mol:	-136.16
Dipole, Da:	6.95
IP(EA), eV:	-8.91(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromophenyl)-2-methyl-5-(2-methylpyridin-3-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CCC1CCCC(C1)C(C2CCCC(C2)S(=O)(=O)C)NC

DOS

IR

Vibrations