Geometry & MOs

Info

ID:	26350
PubChem CID:	645276
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-146.31
Dipole, Da:	3.09
IP(EA), eV:	-9.29(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)N2CCOCC2

DOS

IR

Vibrations