Geometry & MOs

Info

ID:	423115
PubChem CID:	135118962
Reduced:	SN7C14H15 (1)
Stoich.:	AB7C14D15 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	137.53
Dipole, Da:	4.46
IP(EA), eV:	-8.43(-1.5)
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)-(oxan-4-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1NCC2=CSC(=N2)C3=NC=CC=N3

DOS

IR

Vibrations