Geometry & MOs

Info

ID:	83973
PubChem CID:	49862994
Reduced:	FO3N4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	429.24277
ΔH_f, kcal/mol:	-135.11
Dipole, Da:	5.35
IP(EA), eV:	-8.78(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1F)OCC)CN2CCC(CC2)NC(=O)C3=CN=C(C=C3)NC

DOS

IR

Vibrations