Geometry & MOs

Info

ID:	277713
PubChem CID:	103830539
Reduced:	BrNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	340.07864
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	4.69
IP(EA), eV:	-9.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)N(C)C(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations