Geometry & MOs

Info

ID:	256649
PubChem CID:	103140443
Reduced:	BrN4H13C15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	107.96
Dipole, Da:	4.49
IP(EA), eV:	-9.62(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]methanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=CC(=CN=C3)Br)NN

DOS

IR

Vibrations