Geometry & MOs

Info

ID:	149304
PubChem CID:	53788976
Reduced:	NOH11C12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	212.244208
ΔH_f, kcal/mol:	5.63
Dipole, Da:	4.28
IP(EA), eV:	-8.95(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,3,3-tetradeuterio-5-(4-propylcyclohexyl)cyclohexane

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CN=CC=C2)O

DOS

IR

Vibrations