Geometry & MOs

Info

ID:	245239
PubChem CID:	99438000
Reduced:	FO3N5C19H26 (1)
Stoich.:	AB3C5D19E26 (1)
Weight, g/mol:	391.201968
ΔH_f, kcal/mol:	-150.38
Dipole, Da:	6.66
IP(EA), eV:	-9.07(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)CNC(=O)NC2CC2)CNC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations