Geometry & MOs

Info

ID:	27910
PubChem CID:	824114
Reduced:	NCl2O2H7C14 (1)
Stoich.:	AB2C2D7E14 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-31.21
Dipole, Da:	4.17
IP(EA), eV:	-9.36(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 3-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations