Geometry & MOs

Info

ID:	198518
PubChem CID:	79113012
Reduced:	N2O3C12H18 (1)
Stoich.:	A2B3C12D18 (1)
Weight, g/mol:	306.151433
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	3.9
IP(EA), eV:	-9.55(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(4-aminocyclohexyl)-ethylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=C(OC(=C1)COCCCC=C)C(=O)NN

DOS

IR

Vibrations