Geometry & MOs

Info

ID:	405893
PubChem CID:	135075892
Reduced:	ClINO2C15H19 (1)
Stoich.:	ABCD2E15F19 (1)
Weight, g/mol:	339.04701
ΔH_f, kcal/mol:	-72.57
Dipole, Da:	1.13
IP(EA), eV:	-8.79(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[1-(2-bromo-4-methoxyphenyl)pyrrolidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/CCNC1=C(C=CC(=C1)Cl)I

DOS

IR

Vibrations