Geometry & MOs

Info

ID:	167576
PubChem CID:	74846343
Reduced:	FN2O5H23C24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	383.153286
ΔH_f, kcal/mol:	-122.29
Dipole, Da:	8.04
IP(EA), eV:	-9.7(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-N-[(4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C(=CO2)CN(CC3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations