Geometry & MOs

Info

ID:	249184
PubChem CID:	103087524
Reduced:	NSF2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	277.136117
ΔH_f, kcal/mol:	-179.67
Dipole, Da:	4.1
IP(EA), eV:	-8.55(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(4-methylsulfanylbutyl)-5-(tetrazol-1-yl)aniline

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC(F)F)NCCCCSC

DOS

IR

Vibrations