Geometry & MOs

Info

ID:	52001
PubChem CID:	12014772
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	429.189986
ΔH_f, kcal/mol:	-47.57
Dipole, Da:	8.85
IP(EA), eV:	-8.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-[2-[5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3-ethenyl-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=C(N1)C=C(C#N)C#N)C=C

DOS

IR

Vibrations