Geometry & MOs

Info

ID:

175191

PubChem CID:

75865086

Reduced:

O2N4C23H31 (1)

Stoich.:

A2B4C23D31 (1)

Weight, g/mol:

276.136159

ΔHf, kcal/mol:

-15.71

Dipole, Da:

3.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.001956

Charge, e:

 0

Chem-info

IUPAC name:

3-methylbutyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)C(CNC(=O)NCCCN2C=CC3=CC=CC=C32)C4=CC=CO4

DOS

IR

Vibrations