Geometry & MOs

Info

ID:	362847
PubChem CID:	127309676
Reduced:	ON2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	389.222703
ΔH_f, kcal/mol:	-73.78
Dipole, Da:	4.77
IP(EA), eV:	-8.81(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyano-3-fluorophenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCCC1CNC(=O)N2CCCCCC2C3=CC=NC=C3

DOS

IR

Vibrations