Geometry & MOs

Info

ID:	305321
PubChem CID:	124767995
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	336.193674
ΔH_f, kcal/mol:	-66.41
Dipole, Da:	5.09
IP(EA), eV:	-9.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (2R)-2-[(Z)-[(1S,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]methyl]butanedioate

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@@H]1[C@H]([C@@H]2C(=O)NC3=CC=NC=C3)C(=O)O

DOS

IR

Vibrations