Geometry & MOs

Info

ID:	343810
PubChem CID:	127266986
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	327.133139
ΔH_f, kcal/mol:	-53.86
Dipole, Da:	5.23
IP(EA), eV:	-7.96(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[(4-phenyl-1,2,4-triazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)CNC2=CC=C(C=C2)NC(=O)N3CCCCCC3

DOS

IR

Vibrations