Geometry & MOs

Info

ID:	180714
PubChem CID:	76673911
Reduced:	N3O6C34H47 (1)
Stoich.:	A3B6C34D47 (1)
Weight, g/mol:	422.263251
ΔH_f, kcal/mol:	-245.54
Dipole, Da:	2.56
IP(EA), eV:	-9.34(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-butoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-5-prop-1-enyloxane

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OCC1=CC=CC=C1)N2CN(C(C2CC=NC(C)C(=O)OC)CC3=CC=CC=C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations