Geometry & MOs

Info

ID:	440444
PubChem CID:	135230421
Reduced:	ClFO4N8C28H28 (1)
Stoich.:	ABC4D8E28F28 (1)
Weight, g/mol:	253.017353
ΔH_f, kcal/mol:	-52.02
Dipole, Da:	11.23
IP(EA), eV:	-9.45(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3,5-dichloropyridin-4-yl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC(=C(N=C2)C(=O)N)Cl)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations