Geometry & MOs

Info

ID:	83981
PubChem CID:	49863038
Reduced:	ClFON3C17H21 (1)
Stoich.:	ABCD3E17F21 (1)
Weight, g/mol:	505.27407
ΔH_f, kcal/mol:	-74.87
Dipole, Da:	4.21
IP(EA), eV:	-9.34(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]azepan-4-yl]-5-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1)CC)CCC(=O)NCC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations