Geometry & MOs

Info

ID:	245237
PubChem CID:	99437998
Reduced:	FO3N5C22H32 (1)
Stoich.:	AB3C5D22E32 (1)
Weight, g/mol:	433.248918
ΔH_f, kcal/mol:	-187.43
Dipole, Da:	3.54
IP(EA), eV:	-9.13(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCC(=O)N2CCC[C@H](C2)CNC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations