Geometry & MOs

Info

ID:	436983
PubChem CID:	135213491
Reduced:	FN3C24H30 (1)
Stoich.:	AB3C24D30 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-5.78
Dipole, Da:	1.93
IP(EA), eV:	-8.82(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-amino-3-oxo-1,2-dihydroinden-2-yl)-4-propan-2-yloxyhexanamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CCCN(C)CC[C@H]3CCC4=C(C3)C=CC(=C4)F

DOS

IR

Vibrations