Geometry & MOs

Info

ID:	414393
PubChem CID:	135087350
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	375.134969
ΔH_f, kcal/mol:	41.01
Dipole, Da:	5.38
IP(EA), eV:	-9.17(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1-methylpyrazol-3-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)CN(CCO)CC2=CN=CN2C)N3C=CC=N3)C

DOS

IR

Vibrations