Geometry & MOs

Info

ID:	298475
PubChem CID:	117650111
Reduced:	N2O5C27H30 (1)
Stoich.:	A2B5C27D30 (1)
Weight, g/mol:	477.106704
ΔH_f, kcal/mol:	-151.62
Dipole, Da:	2.37
IP(EA), eV:	-8.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-chloro-1-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)N2CCC3(CC2)C4=CC=CN4C5=CC=CC=C5O3)CC[C@@H](CO)O

DOS

IR

Vibrations