Geometry & MOs

Info

ID:	245236
PubChem CID:	99437996
Reduced:	FO3N6C22H29 (1)
Stoich.:	AB3C6D22E29 (1)
Weight, g/mol:	433.248918
ΔH_f, kcal/mol:	-123.43
Dipole, Da:	6.0
IP(EA), eV:	-9.22(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[2-[(3S)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]-2-oxoethyl]urea

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)CC(=O)N1CCC[C@H](C1)CNC(=O)NC2=CC(=CC=C2)F)N3C=CC=N3

DOS

IR

Vibrations