Geometry & MOs

Info

ID:	244953
PubChem CID:	99431657
Reduced:	O2N5C24H31 (1)
Stoich.:	A2B5C24D31 (1)
Weight, g/mol:	440.222369
ΔH_f, kcal/mol:	-52.47
Dipole, Da:	2.05
IP(EA), eV:	-8.5(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[3-[(3R)-3-[[(4-methylphenyl)carbamoylamino]methyl]piperidin-1-yl]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@H]2CCCN(C2)C(=O)C3=CN=C(C=C3)N4CCCC4

DOS

IR

Vibrations