Geometry & MOs

Info

ID:	433139
PubChem CID:	135173276
Reduced:	N2O5C14H22 (1)
Stoich.:	A2B5C14D22 (1)
Weight, g/mol:	286.076057
ΔH_f, kcal/mol:	-237.97
Dipole, Da:	6.5
IP(EA), eV:	-9.62(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-8,9,10,11-tetrahydro-5H-naphtho[7,6-c]isochromen-8-ol

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CC[C@H]2N1C(=O)[C@H](C(C2)C)NC(=O)OC

DOS

IR

Vibrations