Geometry & MOs

Info

ID:	52004
PubChem CID:	12014775
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	380.194737
ΔH_f, kcal/mol:	-56.13
Dipole, Da:	9.27
IP(EA), eV:	-8.86(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(/C(=C(\C(C2=C1NC(=C2)C=C(C#N)C#N)C)/C(=O)OC)/C(=O)OC)C

DOS

IR

Vibrations