Geometry & MOs

Info

ID:	51998
PubChem CID:	12014769
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	334.152872
ΔH_f, kcal/mol:	-128.32
Dipole, Da:	2.92
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-[2-(3-ethenyl-5-formyl-1H-pyrrol-2-yl)propyl-methylamino]but-2-enedioate

Drug info:

PubChemData

Smile

CC(CN(C)/C(=C\C(=O)OC)/C(=O)OC)C1=C(C=CN1)C=C

DOS

IR

Vibrations