Geometry & MOs

Info

ID:	411462
PubChem CID:	135084293
Reduced:	O2N3C6H8 (1)
Stoich.:	A2B3C6D8 (1)
Weight, g/mol:	168.151415
ΔH_f, kcal/mol:	27.22
Dipole, Da:	6.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.811326
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-prop-2-enoxyhept-1-ene

Drug info:

PubChemData

Smile

CC(C)O/C(=C(/[N+]#[C-])\[N+]#N)/O

DOS

IR

Vibrations