Geometry & MOs

Info

ID:	266785
PubChem CID:	103579413
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	329.02627
ΔH_f, kcal/mol:	-189.85
Dipole, Da:	3.62
IP(EA), eV:	-9.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-hydroxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C(=O)C2=C(C=CC=C2O)O

DOS

IR

Vibrations