Geometry & MOs

Info

ID:	382672
PubChem CID:	134973965
Reduced:	OSH18C26 (1)
Stoich.:	ABC18D26 (1)
Weight, g/mol:	157.170663
ΔH_f, kcal/mol:	83.38
Dipole, Da:	1.78
IP(EA), eV:	-8.36(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexadeuterio-2-[dideuterio(phenyl)methyl]propan-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(O2)C3=CC=CC=C3)SC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations