Geometry & MOs

Info

ID:	284548
PubChem CID:	104051656
Reduced:	NOBr2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	323.08848
ΔH_f, kcal/mol:	-11.27
Dipole, Da:	4.39
IP(EA), eV:	-9.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bicyclo[3.1.0]hexanyl-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C2=C(C(=CC(=C2C)Br)C)OC)N)Br

DOS

IR

Vibrations