Geometry & MOs

Info

ID:	186769
PubChem CID:	77480839
Reduced:	S2O6N8C41H46 (1)
Stoich.:	A2B6C8D41E46 (1)
Weight, g/mol:	179.990884
ΔH_f, kcal/mol:	-108.74
Dipole, Da:	6.51
IP(EA), eV:	-8.7(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dichloro-2-fluoro-5-methylcyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C#CC3=CSC4=C3SC=C4C5=CC=C(C=C5)C6=CN=C(N6)C7CCCN7C(=O)C(C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations