Geometry & MOs

Info

ID:

392276

PubChem CID:

135014091

Reduced:

NC6H10 (1)

Stoich.:

AB6C10 (1)

Weight, g/mol:

327.183444

ΔHf, kcal/mol:

8.69

Dipole, Da:

1.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.907701

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-benzyl-5-cyclohexyl-3-hydroxypyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1CC=CC(=[NH2+])C1

DOS

IR

Vibrations