Geometry & MOs

Info

ID:	430673
PubChem CID:	135170739
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	-3.19
Dipole, Da:	3.37
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) propanoate

Drug info:

PubChemData

Smile

CC/C=C/1\C(=C/C)\N=C(N(C1=O)C2=CC(=C(C=C2)CC)O)C3=CN=CC=C3

DOS

IR

Vibrations