Geometry & MOs

Info

ID:	244956
PubChem CID:	99431663
Reduced:	F3N4O4C20H27 (1)
Stoich.:	A3B4C4D20E27 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-338.66
Dipole, Da:	5.63
IP(EA), eV:	-8.71(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3R)-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@H]2CCCN(C2)C(=O)CCNC(=O)OCC(F)(F)F

DOS

IR

Vibrations