Geometry & MOs

Info

ID:	198103
PubChem CID:	79047837
Reduced:	ClFSN2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	358.17321
ΔH_f, kcal/mol:	-2.41
Dipole, Da:	2.71
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-5-ethyl-2-methylpyrazol-3-yl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)Cl)NC2=NC=CS2

DOS

IR

Vibrations