Geometry & MOs

Info

ID:	127926
PubChem CID:	51023212
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	496.199822
ΔH_f, kcal/mol:	54.61
Dipole, Da:	7.69
IP(EA), eV:	-10.5(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S,10S)-4-(methoxymethyl)-10-(trityloxymethyl)-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one

Drug info:

PubChemData

Smile

C=C(C1=CC=C(C=C1)[N+](=O)[O-])C2(C[C@H]3C[C@H]2C=C3)[N+](=O)[O-]

DOS

IR

Vibrations