Geometry & MOs

Info

ID:	392531
PubChem CID:	135017060
Reduced:	N2O3C12H18 (1)
Stoich.:	A2B3C12D18 (1)
Weight, g/mol:	350.151809
ΔH_f, kcal/mol:	-106.1
Dipole, Da:	8.1
IP(EA), eV:	-9.17(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-(3-methoxy-3-oxoprop-1-ynyl)phenyl]-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C1=CC=[N+](C=C1)CC(C)OC(=O)[O-]

DOS

IR

Vibrations