Geometry & MOs

Info

ID:	22393
PubChem CID:	597127
Reduced:	ON3C5H8 (2)
Stoich.:	AB3C5D8 (2)
Weight, g/mol:	252.133474
ΔH_f, kcal/mol:	-22.98
Dipole, Da:	4.06
IP(EA), eV:	-9.36(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-6-[methyl(propylcarbamoyl)amino]-1,2,4-triazine-5-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)N(C)C1=C(N=CN=N1)C(=O)NC

DOS

IR

Vibrations