Geometry & MOs

Info

ID:	320428
PubChem CID:	126660847
Reduced:	SN5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	156.070578
ΔH_f, kcal/mol:	85.67
Dipole, Da:	3.78
IP(EA), eV:	-9.28(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-chloro-2-propan-2-ylcyclohexa-1,3-diene

Drug info:

PubChemData

Smile

C1CCC(C1)C(CC#N)C2=NC=C(S2)C3=C4CCNC4=NC=N3

DOS

IR

Vibrations