Geometry & MOs

Info

ID:	209217
PubChem CID:	80639638
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	5.66
Dipole, Da:	6.65
IP(EA), eV:	-9.31(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[5-[(tert-butylamino)methyl]pyridin-2-yl]sulfanyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1SC2=NC(=O)C=C(N2)N)CNC(C)C

DOS

IR

Vibrations