Geometry & MOs

Info

ID:	126359
PubChem CID:	50962074
Reduced:	O4N5C18H23 (1)
Stoich.:	A4B5C18D23 (1)
Weight, g/mol:	328.158706
ΔH_f, kcal/mol:	-93.52
Dipole, Da:	3.94
IP(EA), eV:	-9.35(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-chromen-6-ylmethylamino)-N-(3-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCC(CC)N1C2=C(C=C(C=N2)C(=O)O)N(C1=O)CC3=NOC(=N3)C(C)C

DOS

IR

Vibrations