Geometry & MOs

Info

ID:	42481
PubChem CID:	8149606
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-97.86
Dipole, Da:	4.93
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-7-hydroxy-4-[(4-piperidin-1-ylanilino)methyl]chromen-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=C(O2)NC[C@H]3CCCO3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations