Geometry & MOs

Info

ID:	189877
PubChem CID:	77918790
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	308.09277
ΔH_f, kcal/mol:	19.15
Dipole, Da:	9.75
IP(EA), eV:	-8.9(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-(4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=N2)C(=O)C3CC(=C4C=CC(=O)C=C4)NN3

DOS

IR

Vibrations