Geometry & MOs

Info

ID:	210419
PubChem CID:	80803790
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	297.18009
ΔH_f, kcal/mol:	1.14
Dipole, Da:	2.53
IP(EA), eV:	-8.86(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC(C)CC2=CC=CO2)N

DOS

IR

Vibrations