Geometry & MOs

Info

ID:	76194
PubChem CID:	48424573
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	413.222703
ΔH_f, kcal/mol:	-65.1
Dipole, Da:	2.8
IP(EA), eV:	-8.23(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCCCN(C)C1=CC=CC=C1)OCC2CC2

DOS

IR

Vibrations