Geometry & MOs

Info

ID:	417381
PubChem CID:	135092969
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	63.41
Dipole, Da:	0.99
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)CN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations