Geometry & MOs

Info

ID:	195458
PubChem CID:	78688215
Reduced:	O4N6H18C19 (1)
Stoich.:	A4B6C18D19 (1)
Weight, g/mol:	348.154603
ΔH_f, kcal/mol:	-8.61
Dipole, Da:	10.0
IP(EA), eV:	-8.91(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)C(=O)OC(C)C3=NN=C(O3)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations