Geometry & MOs

Info

ID:	416675
PubChem CID:	135090012
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	313.124883
ΔH_f, kcal/mol:	-10.29
Dipole, Da:	2.14
IP(EA), eV:	-9.2(0.1)
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)-thiophen-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(CCO)CC2=NC=CN2

DOS

IR

Vibrations