Geometry & MOs

Info

ID:	144388
PubChem CID:	53359631
Reduced:	NO5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	271.061136
ΔH_f, kcal/mol:	-97.23
Dipole, Da:	5.0
IP(EA), eV:	-8.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R)-6-chloro-2-methoxy-3-methyl-4-(nitromethyl)-3,4-dihydro-2H-chromene

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OC([C@H]([C@H]2C[N+](=O)[O-])CC3=CC=CC=C3)O

DOS

IR

Vibrations