Geometry & MOs

Info

ID:	417118
PubChem CID:	135091398
Reduced:	NO2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	372.171689
ΔH_f, kcal/mol:	-109.3
Dipole, Da:	4.11
IP(EA), eV:	-9.68(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methyl]phenol

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=CC=C(O2)CO)O)CC3=CC=NC=C3

DOS

IR

Vibrations