Geometry & MOs

Info

ID:	242853
PubChem CID:	99213376
Reduced:	ClFN2O4C25H28 (1)
Stoich.:	ABC2D4E25F28 (1)
Weight, g/mol:	457.217698
ΔH_f, kcal/mol:	-189.53
Dipole, Da:	7.21
IP(EA), eV:	-9.36(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-N-(2-fluorophenyl)-3-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2CCC[C@@H]2C(=O)NCC3(CCOCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations