Geometry & MOs

Info

ID:	396043
PubChem CID:	135027262
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	78.09535
ΔH_f, kcal/mol:	29.51
Dipole, Da:	4.76
IP(EA), eV:	-8.34(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trideuterio-2-(113C)methylpropan-1-ol

Drug info:

PubChemData

Smile

C=CCC1=C/C(=N\NC2=CC(=C(C=C2)O)CC=C)/C=CC1=O

DOS

IR

Vibrations