Geometry & MOs

Info

ID:	16026
PubChem CID:	457982
Reduced:	NO2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	-129.22
Dipole, Da:	8.67
IP(EA), eV:	-9.64(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R,10R)-10-(hydroxymethyl)-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one

Drug info:

PubChemData

Smile

CC1=CN2[C@H]3C[C@H]([C@H](O3)CO)OC2=NC1=O

DOS

IR

Vibrations