Geometry & MOs

Info

ID:	28269
PubChem CID:	826659
Reduced:	SN2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	44.45
Dipole, Da:	4.34
IP(EA), eV:	-7.84(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[2-(phenoxymethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)SC3=CC=CC=C3C[C@H]2N4CCN(CC4)C

DOS

IR

Vibrations