Geometry & MOs

Info

ID:	437612
PubChem CID:	135226659
Reduced:	Br2O3N6C20H24 (1)
Stoich.:	A2B3C6D20E24 (1)
Weight, g/mol:	169.157898
ΔH_f, kcal/mol:	81.98
Dipole, Da:	9.41
IP(EA), eV:	-8.46(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN1/C(=C(\C)/C=C(/C/C(=C(\C)/N2C(=C(C(=C)N2)Br)N=C)/C)\[N+](=O)[O-])/C)Br

DOS

IR

Vibrations