Geometry & MOs

Info

ID:	209675
PubChem CID:	80701996
Reduced:	O2N5H11C13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	18.07
Dipole, Da:	6.49
IP(EA), eV:	-9.64(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methylpiperidin-4-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)NC(=O)CN2C=C(C=N2)C(=O)N

DOS

IR

Vibrations