Geometry & MOs

Info

ID:	265461
PubChem CID:	103523566
Reduced:	BrNO3C16H26 (1)
Stoich.:	ABC3D16E26 (1)
Weight, g/mol:	359.10961
ΔH_f, kcal/mol:	-116.4
Dipole, Da:	2.48
IP(EA), eV:	-8.69(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxypentan-1-amine

Drug info:

PubChemData

Smile

CCCC(C(C1=C(C(=C(C=C1)OC)Br)OC)NC)OCC

DOS

IR

Vibrations