Geometry & MOs

Info

ID:	241067
PubChem CID:	93621527
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	330.149204
ΔH_f, kcal/mol:	-67.26
Dipole, Da:	5.73
IP(EA), eV:	-8.6(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-methoxy-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)N[C@@H]2CCCN(C2)C3=NC=CC=N3)OC

DOS

IR

Vibrations