Geometry & MOs

Info

ID:	210729
PubChem CID:	80848039
Reduced:	ON5C11H21 (1)
Stoich.:	AB5C11D21 (1)
Weight, g/mol:	266.112738
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	0.64
IP(EA), eV:	-8.55(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylpropanamide

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)N)N[C@H](CO)C(C)C

DOS

IR

Vibrations