Geometry & MOs

Info

ID:	294808
PubChem CID:	117497328
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	311.08848
ΔH_f, kcal/mol:	-46.37
Dipole, Da:	1.86
IP(EA), eV:	-9.09(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromo-2-methoxy-3,5-dimethylphenyl)cyclopentyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Br)C)OC)C2(CCCCC2)N

DOS

IR

Vibrations