Geometry & MOs

Info

ID:	59087
PubChem CID:	24770849
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-71.24
Dipole, Da:	6.34
IP(EA), eV:	-8.85(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-1-ethoxy-2-prop-2-enylbenzene

Drug info:

PubChemData

Smile

CC(C)[C@@]12CC[C@@](C=C1)(N(O2)C3=NC=C(C=C3)C(=O)NCCO)C

DOS

IR

Vibrations