Geometry & MOs

Info

ID:	414344
PubChem CID:	135087300
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-64.94
Dipole, Da:	8.62
IP(EA), eV:	-9.5(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-hydroxyphenyl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=N2)C(=O)N3CC[C@]4(CCCN([C@@H]4C3)C)C(=O)O

DOS

IR

Vibrations