Geometry & MOs

Info

ID:	251658
PubChem CID:	103105720
Reduced:	O4N5C11H17 (1)
Stoich.:	A4B5C11D17 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-129.14
Dipole, Da:	4.79
IP(EA), eV:	-10.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C(C)C(=O)NC(=O)NC)C(=O)OC

DOS

IR

Vibrations