Geometry & MOs

Info

ID:	140896
PubChem CID:	52779602
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	-95.15
Dipole, Da:	7.61
IP(EA), eV:	-8.9(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2R)-1-benzylpiperidin-2-yl]methylcarbamoylamino]-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)[C@H](C)NC(=O)N2CCC[C@@H]2C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations