Geometry & MOs

Info

ID:	203446
PubChem CID:	79831471
Reduced:	N3O5C10H13 (1)
Stoich.:	A3B5C10D13 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-110.16
Dipole, Da:	2.2
IP(EA), eV:	-9.95(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyloxetan-3-yl)methyl]-2-(triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC(=CN2)[N+](=O)[O-])CO

DOS

IR

Vibrations