Geometry & MOs

Info

ID:	182014
PubChem CID:	76827999
Reduced:	N3O5C27H31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	475.210721
ΔH_f, kcal/mol:	-119.6
Dipole, Da:	4.37
IP(EA), eV:	-8.48(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(COC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)C4=C(C5=CC=CC=C5O3)N(N=C4)C)OC)OC

DOS

IR

Vibrations