Geometry & MOs

Info

ID:	231121
PubChem CID:	87572703
Reduced:	N3O4C19H29 (1)
Stoich.:	A3B4C19D29 (1)
Weight, g/mol:	299.114903
ΔH_f, kcal/mol:	-193.14
Dipole, Da:	4.38
IP(EA), eV:	-8.81(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2-amino-6-chloropyrimidin-4-yl)amino]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N/C(=N\C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C

DOS

IR

Vibrations