Geometry & MOs

Info

ID:	257289
PubChem CID:	103144943
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-35.31
Dipole, Da:	9.55
IP(EA), eV:	-8.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(CC1)NC2=C(C=C(C(=C2)C)[N+](=O)[O-])C

DOS

IR

Vibrations