Geometry & MOs

Info

ID:	72900
PubChem CID:	48416664
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	392.20597
ΔH_f, kcal/mol:	-117.09
Dipole, Da:	6.99
IP(EA), eV:	-8.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 2,4-dimethyl-5-[3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations