Geometry & MOs

Info

ID:	442344
PubChem CID:	135251450
Reduced:	NOC7H14 (1)
Stoich.:	ABC7D14 (1)
Weight, g/mol:	405.107319
ΔH_f, kcal/mol:	-51.95
Dipole, Da:	4.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758225
Charge, e:	0

Chem-info

IUPAC name:

2-[(12,14-dioxo-2,3,5,7,13-pentazapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(17),4,6,8(18),9,11(19),15-heptaen-13-yl)oxy]ethyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)[N+](=[13CH][13CH2][13CH3])[13CH2][13CH3]

DOS

IR

Vibrations