Geometry & MOs

Info

ID:	430497
PubChem CID:	135170561
Reduced:	N3C9H17 (1)
Stoich.:	A3B9C17 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	14.21
Dipole, Da:	1.58
IP(EA), eV:	-8.51(0.73)
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) 2-methylpropanoate

Drug info:

PubChemData

Smile

CCC1=NN(C(=NC1)C)C(C)C

DOS

IR

Vibrations