Geometry & MOs

Info

ID:	148130
PubChem CID:	53787792
Reduced:	OCl2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	272.073471
ΔH_f, kcal/mol:	0.88
Dipole, Da:	1.83
IP(EA), eV:	-9.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-(1-chloro-3,3,4-trimethylpent-1-en-2-yl)oxybenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNNC(=O)CCNCC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations