Geometry & MOs

Info

ID:	294696
PubChem CID:	117483594
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	-68.13
Dipole, Da:	1.32
IP(EA), eV:	-8.43(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CC1CC2=C(C(=CC(=C2O1)OC)C(C)(C)N)Br

DOS

IR

Vibrations