Geometry & MOs

Info

ID:	256240
PubChem CID:	103137891
Reduced:	O3N4C10H16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	-87.82
Dipole, Da:	8.48
IP(EA), eV:	-9.97(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]propan-2-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations