Geometry & MOs

Info

ID:	376897
PubChem CID:	134222929
Reduced:	NCl6O16H43C45 (1)
Stoich.:	AB6C16D43E45 (1)
Weight, g/mol:	220.005785
ΔH_f, kcal/mol:	-670.15
Dipole, Da:	4.84
IP(EA), eV:	-9.73(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]ethanone

Drug info:

Smile

CC(=O)NC(COC(=O)CCC(=O)OCC1=CC=C(C=C1)C(=O)C(Cl)Cl)(COC(=O)CCC(=O)OCC2=CC=C(C=C2)C(=O)C(Cl)Cl)COC(=O)CCC(=O)OCC3=CC=C(C=C3)C(=O)C(Cl)Cl

DOS

IR

Vibrations