Geometry & MOs

Info

ID:	145499
PubChem CID:	53535921
Reduced:	F2N2O5C21H26 (1)
Stoich.:	A2B2C5D21E26 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-309.77
Dipole, Da:	6.27
IP(EA), eV:	-9.31(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=CC=C2OC(F)F)C(=O)N3CCC4(CC3)OCCO4

DOS

IR

Vibrations