Geometry & MOs

Info

ID:	75645
PubChem CID:	48423785
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	309.119878
ΔH_f, kcal/mol:	-82.84
Dipole, Da:	4.14
IP(EA), eV:	-8.06(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CN=C(C=C2)N3CCCC3

DOS

IR

Vibrations