Geometry & MOs

Info

ID:	200360
PubChem CID:	79376481
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	354.05791
ΔH_f, kcal/mol:	-56.47
Dipole, Da:	3.71
IP(EA), eV:	-8.99(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromophenyl)methyl-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)OC)CC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations