Geometry & MOs

Info

ID:	448347
PubChem CID:	135290282
Reduced:	BrNO3C23H30 (1)
Stoich.:	ABC3D23E30 (1)
Weight, g/mol:	554.14163
ΔH_f, kcal/mol:	-90.09
Dipole, Da:	2.92
IP(EA), eV:	-8.25(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC(N1)C2=CC(=C(C=C2Br)OCC3=CC=CC=C3)OCCCOC)C

DOS

IR

Vibrations