Geometry & MOs

Info

ID:	257274
PubChem CID:	103144827
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	2.69
Dipole, Da:	9.67
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)-2,2-dimethyloxan-4-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(C)NC2=C(C=C(C(=C2)C)[N+](=O)[O-])C

DOS

IR

Vibrations