Geometry & MOs

Info

ID:	28690
PubChem CID:	828991
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-36.04
Dipole, Da:	5.15
IP(EA), eV:	-8.19(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-methoxy-N-[(3-phenoxyphenyl)methyl]propan-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC2=CC(=CC=C2)SC)OC

DOS

IR

Vibrations