Geometry & MOs

Info

ID:	437930
PubChem CID:	135227325
Reduced:	BrN4C30H41 (1)
Stoich.:	AB4C30D41 (1)
Weight, g/mol:	325.0139
ΔH_f, kcal/mol:	36.81
Dipole, Da:	3.65
IP(EA), eV:	-8.1(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6R)-4-[difluoro(iodo)methyl]-2-bicyclo[4.2.0]oct-2-enyl]ethenamine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)C(CC=C)C/C(=C/C(=NC)CCCC2=NC3=C(CCCN3)C=C2)/N)Br

DOS

IR

Vibrations