Geometry & MOs

Info

ID:	151844
PubChem CID:	56310661
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	393.194008
ΔH_f, kcal/mol:	-48.32
Dipole, Da:	3.93
IP(EA), eV:	-8.77(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-4-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-8-methylchromen-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NC3=C(N=CC=C3)Cl

DOS

IR

Vibrations