Geometry & MOs

Info

ID:	294972
PubChem CID:	117510085
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-81.59
Dipole, Da:	5.41
IP(EA), eV:	-9.02(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-cyclopentyloxy-4-methoxyphenyl)propan-2-amine

Drug info:

PubChemData

Smile

CC1(COC2=C(C=C(C(=C2)CC(C)(C)N)Br)OC1)C

DOS

IR

Vibrations