Geometry & MOs

Info

ID:	166242
PubChem CID:	74656003
Reduced:	N2O5C23H30 (1)
Stoich.:	A2B5C23D30 (1)
Weight, g/mol:	394.206799
ΔH_f, kcal/mol:	-137.92
Dipole, Da:	5.58
IP(EA), eV:	-8.15(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(difluoromethoxy)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C=CC(=O)NCC(C2=CC=CO2)N3CCCCC3)OC)OC

DOS

IR

Vibrations