Geometry & MOs

Info

ID:	379895
PubChem CID:	134964017
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	136.111076
ΔH_f, kcal/mol:	-150.59
Dipole, Da:	2.2
IP(EA), eV:	-9.79(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-deuterio-1-(4-methylphenyl)ethanamine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2)C(C)(C)O

DOS

IR

Vibrations