Geometry & MOs

Info

ID:	59077
PubChem CID:	24770784
Reduced:	N3O6C16H19 (1)
Stoich.:	A3B6C16D19 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-91.98
Dipole, Da:	7.65
IP(EA), eV:	-9.05(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butoxy-4-methoxy-2-prop-2-enylbenzene

Drug info:

PubChemData

Smile

CO[C@]12CC[C@H](C=C1)ON2C3=C(C=C(C=C3)C(=O)NCCO)[N+](=O)[O-]

DOS

IR

Vibrations