Geometry & MOs

Info

ID:	137504
PubChem CID:	52216230
Reduced:	ClON3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	381.03758
ΔH_f, kcal/mol:	26.79
Dipole, Da:	4.06
IP(EA), eV:	-9.47(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N(C2CC2)[C@H](C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations