Geometry & MOs

Info

ID:	265898
PubChem CID:	103556025
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	182.116761
ΔH_f, kcal/mol:	-93.51
Dipole, Da:	4.48
IP(EA), eV:	-9.81(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)C2=CC3=C(CCCNC3=O)C=C2

DOS

IR

Vibrations