Geometry & MOs

Info

ID:	435402
PubChem CID:	135191370
Reduced:	NF4O5H17C19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-346.05
Dipole, Da:	4.11
IP(EA), eV:	-9.12(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylidene-2-(2-nitrosoethyl)hexan-1-ol

Drug info:

PubChemData

Smile

C/C=C(\C(=C/C=C)\NC(=O)/C=C/C1=CC(=C(C=C1)OC(F)F)OC(F)F)/C(=O)O

DOS

IR

Vibrations