Geometry & MOs

Info

ID:	405977
PubChem CID:	135076180
Reduced:	BrNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	369.05757
ΔH_f, kcal/mol:	-67.22
Dipole, Da:	4.22
IP(EA), eV:	-8.89(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[1-(2-bromo-4,5-dimethoxyphenyl)pyrrolidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations