Geometry & MOs

Info

ID:	257294
PubChem CID:	103144994
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	17.95
Dipole, Da:	10.65
IP(EA), eV:	-8.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)-4,4-dimethylthian-3-amine

Drug info:

PubChemData

Smile

CCCN1C=CN=C1CNC2=C(C=C(C(=C2)C)[N+](=O)[O-])C

DOS

IR

Vibrations