Geometry & MOs

Info

ID:

414179

PubChem CID:

135087135

Reduced:

PN5O7C10H13 (1)

Stoich.:

AB5C7D10E13 (1)

Weight, g/mol:

223.110947

ΔHf, kcal/mol:

-268.07

Dipole, Da:

7.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.869297

Charge, e:

 0

Chem-info

IUPAC name:

7-ethyl-1-pyrimidin-2-ylindole

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)[O-])O

DOS

IR

Vibrations