Geometry & MOs

Info

ID:	448357
PubChem CID:	135290340
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	558.0921
ΔH_f, kcal/mol:	-21.77
Dipole, Da:	3.65
IP(EA), eV:	-8.42(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[5-(2-bromo-4-chloro-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidin-1-yl]-4-oxopyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)/C=C/C1=CC(=C(C=C1)OCC#C)OC

DOS

IR

Vibrations