Geometry & MOs

Info

ID:	264632
PubChem CID:	103478197
Reduced:	BrClNO2C15H15 (1)
Stoich.:	ABCD2E15F15 (1)
Weight, g/mol:	341.05459
ΔH_f, kcal/mol:	-36.06
Dipole, Da:	6.47
IP(EA), eV:	-8.41(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-3-chlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CNC2=C(C(=CC=C2)Cl)Br

DOS

IR

Vibrations