Geometry & MOs

Info

ID:	302582
PubChem CID:	124385179
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	262.039672
ΔH_f, kcal/mol:	56.34
Dipole, Da:	4.77
IP(EA), eV:	-8.36(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-chloro-3,4-dihydro-2H-benzo[h]chromene-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC[C@H]1CC2=CNC3=C2C=C(C=C3)NC4=C(C=CC=N4)[N+](=O)[O-]

DOS

IR

Vibrations