Geometry & MOs

Info

ID:	151517
PubChem CID:	53837750
Reduced:	ClO3N5C10H14 (1)
Stoich.:	AB3C5D10E14 (1)
Weight, g/mol:	172.088815
ΔH_f, kcal/mol:	-114.19
Dipole, Da:	8.25
IP(EA), eV:	-9.22(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-2H-pyran

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)NC(=O)C1=C(N=C(C(=N1)Cl)N)N

DOS

IR

Vibrations