Geometry & MOs

Info

ID:	205638
PubChem CID:	80131486
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	196.132411
ΔH_f, kcal/mol:	-20.95
Dipole, Da:	7.24
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1(COC1)CNCC2=NC(=O)C3=C(N2)C=CS3

DOS

IR

Vibrations