Geometry & MOs

Info

ID:

146275

PubChem CID:

53663364

Reduced:

SC2N4H7 (1)

Stoich.:

AB2C4D7 (1)

Weight, g/mol:

298.240899

ΔHf, kcal/mol:

82.38

Dipole, Da:

5.11

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.786723

Charge, e:

0

Chem-info

IUPAC name:

15-(cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,4-diene

Drug info:

PubChemData

Smile

C(CS)NN[N+]#N

DOS

IR

Vibrations