Geometry & MOs

Info

ID:	138649
PubChem CID:	52400495
Reduced:	O3N4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-81.2
Dipole, Da:	4.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.826290
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyano-2-methoxyphenoxy)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CC(=O)NCC2=CNC=[N+]2CCOC

DOS

IR

Vibrations