Geometry & MOs

Info

ID:	317905
PubChem CID:	126647491
Reduced:	BrOF3N7H21C27 (1)
Stoich.:	ABC3D7E21F27 (1)
Weight, g/mol:	184.053404
ΔH_f, kcal/mol:	-25.25
Dipole, Da:	7.76
IP(EA), eV:	-9.03(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-N,2-N-dichloro-4-methylpentane-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=NC3=C(N=C(N=C32)C4=NC(=CC=C4)C(F)(F)F)NC5=CC(=NC=C5)Br)C6CC6

DOS

IR

Vibrations