Geometry & MOs

Info

ID:	251491
PubChem CID:	103104351
Reduced:	O3N6C8H12 (1)
Stoich.:	A3B6C8D12 (1)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	-20.53
Dipole, Da:	0.98
IP(EA), eV:	-9.64(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl-[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations