Geometry & MOs

Info

ID:	266176
PubChem CID:	103558692
Reduced:	OSN4C9H14 (1)
Stoich.:	ABC4D9E14 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	15.91
Dipole, Da:	9.73
IP(EA), eV:	-8.4(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine

Drug info:

PubChemData

Smile

COC1(CCC1)CC2=NC(=S)N=C(N2)N

DOS

IR

Vibrations