Geometry & MOs

Info

ID:	195758
PubChem CID:	78731924
Reduced:	F2O2N3C21H26 (1)
Stoich.:	A2B2C3D21E26 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	-114.38
Dipole, Da:	5.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755165
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations