Geometry & MOs

Info

ID:	418967
PubChem CID:	135107232
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	57.97
Dipole, Da:	4.07
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1,5-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CC(=N2)C)C(=O)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations