Geometry & MOs

Info

ID:	51999
PubChem CID:	12014770
Reduced:	N2O5C17H22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	402.140256
ΔH_f, kcal/mol:	-154.4
Dipole, Da:	4.1
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-[2-[3-ethenyl-5-(2,2,2-trifluoroacetyl)-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=O)C=C

DOS

IR

Vibrations