Geometry & MOs

Info

ID:	198747
PubChem CID:	79144762
Reduced:	BrN2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	47.49
Dipole, Da:	1.94
IP(EA), eV:	-9.35(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyloxetan-3-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CN=CC=C1)NC(C)C2=CC(=CC=C2)Br

DOS

IR

Vibrations