Geometry & MOs

Info

ID:	198418
PubChem CID:	79098637
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-81.48
Dipole, Da:	4.46
IP(EA), eV:	-9.56(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methoxyethyl)pyrrol-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)C1=CN(C=C1)CC(=O)NCC(C)C

DOS

IR

Vibrations