Geometry & MOs

Info

ID:	786
PubChem CID:	3354
Reduced:	NO4C24H25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	391.178358
ΔH_f, kcal/mol:	-109.86
Dipole, Da:	3.25
IP(EA), eV:	-8.8(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations