Geometry & MOs

Info

ID:	411364
PubChem CID:	135084187
Reduced:	N3O4H7C8 (1)
Stoich.:	A3B4C7D8 (1)
Weight, g/mol:	224.096793
ΔH_f, kcal/mol:	32.97
Dipole, Da:	5.81
IP(EA), eV:	-11.17(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-(4-chlorophenyl)-3-methylhex-3-en-1-ol

Drug info:

PubChemData

Smile

CC(=CC1=C(C=NC=C1)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations