Geometry & MOs

Info

ID:	399276
PubChem CID:	135039328
Reduced:	BrNCl2O2C9H16 (1)
Stoich.:	ABC2D2E9F16 (1)
Weight, g/mol:	244.182715
ΔH_f, kcal/mol:	-91.52
Dipole, Da:	4.81
IP(EA), eV:	-9.66(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol

Drug info:

PubChemData

Smile

CC(C)N=C(C(Cl)Cl)C(CBr)(OC)OC

DOS

IR

Vibrations