Geometry & MOs

Info

ID:	416850
PubChem CID:	135090587
Reduced:	NO6C16H21 (1)
Stoich.:	AB6C16D21 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-245.14
Dipole, Da:	8.93
IP(EA), eV:	-9.68(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(cyclopentylmethylsulfonyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)CCCOC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations