Geometry & MOs

Info

ID:	56872
PubChem CID:	22394594
Reduced:	O2N3H11C17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	152.071154
ΔH_f, kcal/mol:	130.53
Dipole, Da:	6.82
IP(EA), eV:	-9.12(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(2-methyl-1H-pyrrol-3-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C\2=NON/C2=C/C3=C4C=CC=CC4=NC3=O

DOS

IR

Vibrations