Geometry & MOs

Info

ID:	231632
PubChem CID:	87574343
Reduced:	SiO4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	379.04107
ΔH_f, kcal/mol:	-211.84
Dipole, Da:	3.79
IP(EA), eV:	-9.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(2-amino-5-bromo-6-chloropyrimidin-4-yl)amino]propyl]carbamate

Drug info:

PubChemData

Smile

C/C(=C\CC(=O)O[Si](C)(C)CCCC1=CC=CC=C1)/C(=O)O

DOS

IR

Vibrations