Geometry & MOs

Info

ID:	251881
PubChem CID:	103107541
Reduced:	O4N5C10H15 (1)
Stoich.:	A4B5C10D15 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-120.55
Dipole, Da:	4.29
IP(EA), eV:	-10.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)C(C)N1C=C(N=N1)C(=O)OC

DOS

IR

Vibrations