Geometry & MOs

Info

ID:	294877
PubChem CID:	117501798
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	315.08339
ΔH_f, kcal/mol:	-70.13
Dipole, Da:	4.72
IP(EA), eV:	-8.46(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)butan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Br)CNOC)OC2CCC2

DOS

IR

Vibrations