Geometry & MOs

Info

ID:	258756
PubChem CID:	103156811
Reduced:	O2N5C12H21 (1)
Stoich.:	A2B5C12D21 (1)
Weight, g/mol:	211.106925
ΔH_f, kcal/mol:	-41.06
Dipole, Da:	5.59
IP(EA), eV:	-9.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(1,2,4-triazin-3-yl)butanamide

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=N1)NC(=O)CC(CN)OC)CC

DOS

IR

Vibrations