Geometry & MOs

Info

ID:	397627
PubChem CID:	135030488
Reduced:	NOH21C24 (1)
Stoich.:	ABC21D24 (1)
Weight, g/mol:	312.084517
ΔH_f, kcal/mol:	56.0
Dipole, Da:	2.64
IP(EA), eV:	-8.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,5S,6R)-2,5-diacetyloxy-6-formyl-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N[C@@H]2C=CC(=O)C2(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations