Geometry & MOs

Info

ID:	341070
PubChem CID:	127263505
Reduced:	ClO3N5C15H24 (1)
Stoich.:	AB3C5D15E24 (1)
Weight, g/mol:	491.253255
ΔH_f, kcal/mol:	-141.94
Dipole, Da:	2.07
IP(EA), eV:	-9.06(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C(C1)O)CNC2=NC=NC(=C2Cl)N

DOS

IR

Vibrations