Geometry & MOs

Info

ID:	233471
PubChem CID:	90944766
Reduced:	ClN2O4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	377.865094
ΔH_f, kcal/mol:	-177.2
Dipole, Da:	4.41
IP(EA), eV:	-8.38(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5-trichloro-7,7-bis(chloromethyl)-1-(dichloromethyl)bicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1CN(CCN1C(=O)OC(C)(C)C)C2=CC(=C(C=C2)Cl)OC

DOS

IR

Vibrations