Geometry & MOs

Info

ID:	42423
PubChem CID:	8149539
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	362.199428
ΔH_f, kcal/mol:	-24.77
Dipole, Da:	2.95
IP(EA), eV:	-8.75(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethyl-4-[(4-piperidin-1-ylanilino)methyl]chromen-2-one

Drug info:

PubChemData

Smile

CC[C@H](C1=NN=C(O1)SCC(=O)NC2=CC3=C(CCC3)C=C2)N(C)C

DOS

IR

Vibrations