Geometry & MOs

Info

ID:	284552
PubChem CID:	104051664
Reduced:	BrNOF2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	311.08848
ΔH_f, kcal/mol:	-99.36
Dipole, Da:	2.37
IP(EA), eV:	-9.27(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-cyclopentylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(C2=CC(=CC(=C2)F)F)N)C)Br

DOS

IR

Vibrations