Geometry & MOs

Info

ID:	341417
PubChem CID:	127264110
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	276.099774
ΔH_f, kcal/mol:	-96.52
Dipole, Da:	4.3
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)-2-oxoacetate

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)OC

DOS

IR

Vibrations