Geometry & MOs

Info

ID:	341069
PubChem CID:	127263504
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	357.156767
ΔH_f, kcal/mol:	-170.33
Dipole, Da:	5.17
IP(EA), eV:	-8.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-3-hydroxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(C1)C3=CC(=C(C=C3NC2=O)N)OC

DOS

IR

Vibrations