Geometry & MOs

Info

ID:	444268
PubChem CID:	135261926
Reduced:	FON7H26C29 (1)
Stoich.:	ABC7D26E29 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	102.58
Dipole, Da:	6.26
IP(EA), eV:	-8.48(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)O)/C=C32)F

DOS

IR

Vibrations