Geometry & MOs

Info

ID:	170628
PubChem CID:	75261354
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	397.216555
ΔH_f, kcal/mol:	31.79
Dipole, Da:	5.86
IP(EA), eV:	-8.54(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-oxo-3,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1C2CC(C(=O)NC2N(N1)C3=CC=CC=C3)CNCCC4=CC=NC=C4

DOS

IR

Vibrations