Geometry & MOs

Info

ID:	261070
PubChem CID:	103216235
Reduced:	BrClNOF3C13H16 (1)
Stoich.:	ABCDE3F13G16 (1)
Weight, g/mol:	408.96095
ΔH_f, kcal/mol:	-198.32
Dipole, Da:	1.26
IP(EA), eV:	-9.27(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(4-chloro-2-propan-2-ylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCNC(CC1=C(C=C(C=C1)Br)Cl)COCC(F)(F)F

DOS

IR

Vibrations