Geometry & MOs

Info

ID:	422215
PubChem CID:	135117417
Reduced:	ClN2O3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-145.82
Dipole, Da:	1.32
IP(EA), eV:	-9.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-5-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCNCC2)NC(=O)CCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations