Geometry & MOs

Info

ID:	122112
PubChem CID:	50794932
Reduced:	O3N6C17H20 (1)
Stoich.:	A3B6C17D20 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-28.51
Dipole, Da:	6.53
IP(EA), eV:	-9.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)N2C(=N1)N=CN2)NC(=O)NC3=CC=C(C=C3)OCC

DOS

IR

Vibrations