Geometry & MOs

Info

ID:	405978
PubChem CID:	135076181
Reduced:	BrNO4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	323.05209
ΔH_f, kcal/mol:	-142.02
Dipole, Da:	4.58
IP(EA), eV:	-8.64(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[1-(2-bromo-3-methylphenyl)pyrrolidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/1\CCCN1C2=CC(=C(C=C2Br)OC)OC

DOS

IR

Vibrations