Geometry & MOs

Info

ID:	60360
PubChem CID:	26683888
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	455.10961
ΔH_f, kcal/mol:	-37.47
Dipole, Da:	10.17
IP(EA), eV:	-8.37(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)NC4=CC5=C(C=C4)NC(=O)N5

DOS

IR

Vibrations