Geometry & MOs

Info

ID:	257322
PubChem CID:	103145210
Reduced:	ClFN2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	264.068097
ΔH_f, kcal/mol:	-34.45
Dipole, Da:	10.02
IP(EA), eV:	-8.83(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-4-nitro-N-(thiadiazol-4-ylmethyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NCC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations