Geometry & MOs

Info

ID:	52000
PubChem CID:	12014771
Reduced:	N2F3O5C18H21 (1)
Stoich.:	A2B3C5D18E21 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-308.73
Dipole, Da:	4.73
IP(EA), eV:	-9.18(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-[2-[5-(2,2-dicyanoethenyl)-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(=O)C(F)(F)F)C=C

DOS

IR

Vibrations