Geometry & MOs

Info

ID:	83014
PubChem CID:	49857005
Reduced:	O2N6H26C27 (1)
Stoich.:	A2B6C26D27 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	73.1
Dipole, Da:	7.86
IP(EA), eV:	-8.96(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[(2-aminopyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C2C1=C(N=C3N2NC=C3C4=CN=C(C=C4)C5=CC=CC=C5)C6CCC(CC6)(C)C(=O)O

DOS

IR

Vibrations