Geometry & MOs

Info

ID:	260228
PubChem CID:	103185380
Reduced:	N2S2O4H12C13 (1)
Stoich.:	A2B2C4D12E13 (1)
Weight, g/mol:	305.093104
ΔH_f, kcal/mol:	-39.76
Dipole, Da:	5.81
IP(EA), eV:	-8.98(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]-2-methylaniline

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CSC2=CSC(=C2)C(=O)O

DOS

IR

Vibrations