Geometry & MOs

Info

ID:	174937
PubChem CID:	75835688
Reduced:	NOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	319.115462
ΔH_f, kcal/mol:	-43.0
Dipole, Da:	4.82
IP(EA), eV:	-9.19(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC=CC=C2)NC(=O)C3CC(=O)NC4=CC=CC=C34

DOS

IR

Vibrations