Geometry & MOs

Info

ID:	210413
PubChem CID:	80803386
Reduced:	O3N4C11H16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	241.099731
ΔH_f, kcal/mol:	-35.94
Dipole, Da:	4.58
IP(EA), eV:	-8.86(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC)NC1=CC(=CC(=C1)NC)[N+](=O)[O-]

DOS

IR

Vibrations