Geometry & MOs

Info

ID:	427249
PubChem CID:	135156415
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	397.252941
ΔH_f, kcal/mol:	-184.71
Dipole, Da:	5.27
IP(EA), eV:	-9.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-fluorophenyl)-4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1(C/C(=C\C2=CC=C(C=C2)C(=O)O)/CCN1C(=O)OC(C)(C)C)C

DOS

IR

Vibrations