Geometry & MOs

Info

ID:	252381
PubChem CID:	103110994
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	297.18009
ΔH_f, kcal/mol:	-48.32
Dipole, Da:	6.39
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C=C1)NCC2=C(C(=CC=C2)N)C

DOS

IR

Vibrations