Geometry & MOs

Info

ID:	139969
PubChem CID:	52622988
Reduced:	OF3N3C14H27 (1)
Stoich.:	AB3C3D14E27 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-222.96
Dipole, Da:	2.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754506
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-1-methoxypropan-2-yl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CC[NH+](CC)CCNC(=O)N[C@H]1CCC[C@@H](C1)C(F)(F)F

DOS

IR

Vibrations