Geometry & MOs

Info

ID:	257295
PubChem CID:	103145005
Reduced:	SN2O2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-28.16
Dipole, Da:	9.4
IP(EA), eV:	-8.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC2CSCCC2(C)C

DOS

IR

Vibrations