Geometry & MOs

Info

ID:	150907
PubChem CID:	53790604
Reduced:	N2O2F6H16C23 (1)
Stoich.:	A2B2C6D16E23 (1)
Weight, g/mol:	400.09977
ΔH_f, kcal/mol:	-221.01
Dipole, Da:	8.96
IP(EA), eV:	-9.36(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

C#CCN(C1=CC=C(C=C1)CC2=CC=C(C=C2)N(CC#C)C(=O)C(F)(F)F)C(=O)C(F)(F)F

DOS

IR

Vibrations