Geometry & MOs

Info

ID:	165076
PubChem CID:	74496185
Reduced:	O2N4C26H39 (1)
Stoich.:	A2B4C26D39 (1)
Weight, g/mol:	392.211136
ΔH_f, kcal/mol:	-33.07
Dipole, Da:	4.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.903324
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-fluorophenyl)-4-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C[NH+](C)CC2=CC(=CC=C2)OCC3CCCN(C3)C(=O)C4CCCCC4

DOS

IR

Vibrations