Geometry & MOs

Info

ID:	257276
PubChem CID:	103144838
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-18.73
Dipole, Da:	9.68
IP(EA), eV:	-8.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

Drug info:

PubChemData

Smile

CCN1CCCC(CC1)NC2=C(C=C(C(=C2)C)[N+](=O)[O-])C

DOS

IR

Vibrations