Geometry & MOs

Info

ID:	227456
PubChem CID:	87561787
Reduced:	ClN4C7H9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	346.119654
ΔH_f, kcal/mol:	71.21
Dipole, Da:	3.73
IP(EA), eV:	-9.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-(2-amino-6-chloropyrimidin-4-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=N)C1=NN=C(C=C1)Cl

DOS

IR

Vibrations