Geometry & MOs

Info

ID:	210470
PubChem CID:	80811066
Reduced:	N2C3H4 (4)
Stoich.:	A2B3C4 (4)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	102.42
Dipole, Da:	7.84
IP(EA), eV:	-9.66(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-amino-5-methylpyrimidin-4-yl)amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)N(CCC#N)C1=NC(=NC(=N1)N2C=CN=C2)N

DOS

IR

Vibrations