Geometry & MOs

Info

ID:	418089
PubChem CID:	135103499
Reduced:	N7O7C31H45 (1)
Stoich.:	A7B7C31D45 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-285.2
Dipole, Da:	3.97
IP(EA), eV:	-8.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=C(NN=C3)C(=O)O)C(C)C

DOS

IR

Vibrations