Geometry & MOs

Info

ID:

132511

PubChem CID:

51372971

Reduced:

ON2H15C18 (1)

Stoich.:

AB2C15D18 (1)

Weight, g/mol:

288.137497

ΔHf, kcal/mol:

54.56

Dipole, Da:

2.79

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.732880

Charge, e:

0

Chem-info

IUPAC name:

(7S)-2-methyl-5,7-diphenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C[N+]3=C(N2)C4=CC=CC=C4C=C3

DOS

IR

Vibrations