Geometry & MOs

Info

ID:	415689
PubChem CID:	135088688
Reduced:	ON4C19H26 (1)
Stoich.:	AB4C19D26 (1)
Weight, g/mol:	314.120132
ΔH_f, kcal/mol:	-16.16
Dipole, Da:	6.04
IP(EA), eV:	-8.63(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)NC2CCN(CC2)CC3=CC=NC=C3

DOS

IR

Vibrations