Geometry & MOs

Info

ID:	405976
PubChem CID:	135076179
Reduced:	IN2O4C26H31 (1)
Stoich.:	AB2C4D26E31 (1)
Weight, g/mol:	309.03644
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	2.3
IP(EA), eV:	-8.55(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[1-(2-bromophenyl)pyrrolidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(C(=O)NC2CCCCC2)N(CC=C)C(=O)C3=CC=CC=C3)I)OC

DOS

IR

Vibrations