Geometry & MOs

Info

ID:	271904
PubChem CID:	103698647
Reduced:	NSF3C9H18 (1)
Stoich.:	ABC3D9E18 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	-191.54
Dipole, Da:	3.98
IP(EA), eV:	-9.34(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-imidazol-1-ylphenyl)methyl]-2,2-dimethylbutan-1-amine

Drug info:

PubChemData

Smile

CCC(C)(C)CNCCSC(F)(F)F

DOS

IR

Vibrations