Geometry & MOs

Info

ID:	416556
PubChem CID:	135089676
Reduced:	O5N7C37H49 (1)
Stoich.:	A5B7C37D49 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-176.81
Dipole, Da:	7.6
IP(EA), eV:	-9.47(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)C(=O)N2CCCCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C3=CC=C(C2)C=C3)CC4=CC=CC=C4)CC(C)C)C)C

DOS

IR

Vibrations