Geometry & MOs

Info

ID:	289227
PubChem CID:	104341078
Reduced:	ON3C6H9 (2)
Stoich.:	AB3C6D9 (2)
Weight, g/mol:	295.200825
ΔH_f, kcal/mol:	5.25
Dipole, Da:	5.64
IP(EA), eV:	-9.07(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-butan-2-ylpropanamide

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COC)NCC2=NC(=NO2)C

DOS

IR

Vibrations