Geometry & MOs

Info

ID:	423779
PubChem CID:	135120193
Reduced:	NO5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-213.6
Dipole, Da:	6.2
IP(EA), eV:	-8.42(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)CCOC2=C(C=C(C=C2)C)OC)C(=O)O

DOS

IR

Vibrations