Geometry & MOs

Info

ID:	60361
PubChem CID:	26683916
Reduced:	BrNO3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	455.10961
ΔH_f, kcal/mol:	-39.28
Dipole, Da:	4.41
IP(EA), eV:	-8.36(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-bromophenyl)-N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Br)NCC2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC

DOS

IR

Vibrations