Geometry & MOs

Info

ID:	354004
PubChem CID:	127285661
Reduced:	O2N5C14H25 (1)
Stoich.:	A2B5C14D25 (1)
Weight, g/mol:	308.153621
ΔH_f, kcal/mol:	-56.91
Dipole, Da:	5.73
IP(EA), eV:	-9.22(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-3-(3-fluorophenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)NCC1CN(CCO1)C)CN2C=CC=N2

DOS

IR

Vibrations