Geometry & MOs

Info

ID:

440954

PubChem CID:

135232432

Reduced:

N2O5C30H33 (1)

Stoich.:

A2B5C30D33 (1)

Weight, g/mol:

375.147058

ΔHf, kcal/mol:

-164.91

Dipole, Da:

9.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.052019

Charge, e:

 0

Chem-info

IUPAC name:

(3,3-dimethyl-17-oxo-14-oxa-10-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4(9),5,7,15,18,20-heptaen-6-yl)methyl formate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C3C(C=C4C(O3)CC[N+]5=C4C(C6=C5C=CC(=C6)C)(C)CC(=O)O)C(=O)O2

DOS

IR

Vibrations