Geometry & MOs

Info

ID:	175287
PubChem CID:	75878931
Reduced:	ClO3N4C16H23 (1)
Stoich.:	AB3C4D16E23 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-53.34
Dipole, Da:	10.89
IP(EA), eV:	-9.11(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1CCCCN1C(C)CNC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations