Geometry & MOs

Info

ID:	194231
PubChem CID:	78502095
Reduced:	N7C20H34 (1)
Stoich.:	A7B20C34 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	116.54
Dipole, Da:	18.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.092498
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 1-methylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=C3C[NH+](CCC3=C4C(=NN=C4[NH2+]2)N)C5CCCCC5

DOS

IR

Vibrations