Geometry & MOs

Info

ID:	182013
PubChem CID:	76827998
Reduced:	ClN2O6C26H27 (1)
Stoich.:	AB2C6D26E27 (1)
Weight, g/mol:	477.226371
ΔH_f, kcal/mol:	-182.36
Dipole, Da:	4.52
IP(EA), eV:	-8.86(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methoxy-4-(2-methoxypropoxy)phenyl]-(1-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)N2CCC3(CC2)C4=CC=CN4C5=C(O3)C=CC(=C5)Cl)OCC(CO)O

DOS

IR

Vibrations