Geometry & MOs

Info

ID:	402121
PubChem CID:	135054487
Reduced:	N2O3H12C14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	374.172939
ΔH_f, kcal/mol:	17.19
Dipole, Da:	5.94
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3S,7aR)-3-(4-methoxyphenyl)-1,1-dimethyl-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)[C@H](C[N+](=O)[O-])C3=CC=CO3

DOS

IR

Vibrations