Geometry & MOs

Info

ID:	252401
PubChem CID:	103111119
Reduced:	N5C13H13 (1)
Stoich.:	A5B13C13 (1)
Weight, g/mol:	295.128054
ΔH_f, kcal/mol:	95.35
Dipole, Da:	9.54
IP(EA), eV:	-8.87(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC2=NC=C(N=C2)C#N

DOS

IR

Vibrations