Geometry & MOs

Info

ID:	430457
PubChem CID:	135170521
Reduced:	N2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	36.94
Dipole, Da:	2.57
IP(EA), eV:	-9.0(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) butanoate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C2(CC2)C)C

DOS

IR

Vibrations