Geometry & MOs

Info

ID:	336343
PubChem CID:	127255350
Reduced:	FO4N5H16C20 (1)
Stoich.:	AB4C5D16E20 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-102.57
Dipole, Da:	10.38
IP(EA), eV:	-8.92(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[2-(4-methoxynaphthalen-1-yl)pyrrolidine-1-carbonyl]pyran-4-one

Drug info:

PubChemData

Smile

COCCN1C(=O)C2=C(C=CC(=C2)NC(=O)C3=CNC4=C(C3=O)C=CC=C4F)N=N1

DOS

IR

Vibrations