Geometry & MOs

Info

ID:	42351
PubChem CID:	8149464
Reduced:	ClO2N3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	382.144806
ΔH_f, kcal/mol:	-86.92
Dipole, Da:	1.95
IP(EA), eV:	-8.29(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)[C@H](C)NC2=C(C=C(C(=C2)C)Cl)OC

DOS

IR

Vibrations