Geometry & MOs

Info

ID:	419567
PubChem CID:	135108424
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	339.242296
ΔH_f, kcal/mol:	8.98
Dipole, Da:	3.8
IP(EA), eV:	-8.34(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)C)NCC2=CC3=C(C=C2)OCCC3

DOS

IR

Vibrations