Geometry & MOs

Info

ID:	253395
PubChem CID:	103118160
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	297.18009
ΔH_f, kcal/mol:	-108.46
Dipole, Da:	3.75
IP(EA), eV:	-9.97(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(C(O1)(C)C)N2C(=C(N=N2)C(=O)OC)CCN)C

DOS

IR

Vibrations