Geometry & MOs

Info

ID:	423919
PubChem CID:	135120754
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	-162.23
Dipole, Da:	4.35
IP(EA), eV:	-9.26(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(3-methylsulfanylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@@H]1O)CC2=CC3=CC=CC=C3NC2=O)C(=O)O

DOS

IR

Vibrations