Geometry & MOs

Info

ID:	266783
PubChem CID:	103579392
Reduced:	BrON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	296.100836
ΔH_f, kcal/mol:	20.01
Dipole, Da:	3.07
IP(EA), eV:	-10.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethoxypyrrolidin-1-yl)-(2-hydroxy-3-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CN=C(C=C1)Br

DOS

IR

Vibrations