Geometry & MOs

Info

ID:	217706
PubChem CID:	85088246
Reduced:	FO3N5C19H26 (1)
Stoich.:	AB3C5D19E26 (1)
Weight, g/mol:	391.178358
ΔH_f, kcal/mol:	-142.63
Dipole, Da:	4.01
IP(EA), eV:	-8.21(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylbutyl 1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)NCC2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCNCC4)F

DOS

IR

Vibrations