Geometry & MOs

Info

ID:	253439
PubChem CID:	103118439
Reduced:	O3N5C13H23 (1)
Stoich.:	A3B5C13D23 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-102.6
Dipole, Da:	2.63
IP(EA), eV:	-9.72(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(oxan-2-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)CN1C(=C(N=N1)C(=O)OC)CCN

DOS

IR

Vibrations