Geometry & MOs

Info

ID:

174141

PubChem CID:

75730273

Reduced:

FN4O6C21H26 (1)

Stoich.:

AB4C6D21E26 (1)

Weight, g/mol:

318.254538

ΔHf, kcal/mol:

-225.92

Dipole, Da:

5.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.796925

Charge, e:

 1

Chem-info

IUPAC name:

N-propan-2-yl-3-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2C3=C(CCN2C(=O)NC(CCC(=O)OC)C(=O)OC)N=C[NH2+]3)F

DOS

IR

Vibrations