Geometry & MOs

Info

ID:	210730
PubChem CID:	80848238
Reduced:	O3N6C10H14 (1)
Stoich.:	A3B6C10D14 (1)
Weight, g/mol:	235.14331
ΔH_f, kcal/mol:	-10.64
Dipole, Da:	3.13
IP(EA), eV:	-9.82(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCNC2=NC=NC(=C2[N+](=O)[O-])N

DOS

IR

Vibrations