Geometry & MOs

Info

ID:

388650

PubChem CID:

134989742

Reduced:

P2C7H11 (1)

Stoich.:

A2B7C11 (1)

Weight, g/mol:

247.168462

ΔHf, kcal/mol:

39.12

Dipole, Da:

1.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.888982

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-4-methyl-6,8-di(propan-2-yl)imidazo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCC1=C(P=C[P-]1)CC

DOS

IR

Vibrations