Geometry & MOs

Info

ID:	151561
PubChem CID:	53837794
Reduced:	N5O6C26H35 (1)
Stoich.:	A5B6C26D35 (1)
Weight, g/mol:	102.023628
ΔH_f, kcal/mol:	-184.67
Dipole, Da:	7.58
IP(EA), eV:	-8.52(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloropenta-1,3-diene

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC2=CC=CC=C21)N(CC(C)(C(=O)C3=C(ON=N3)C(C)(C)C)C(=O)N)C(=O)OC

DOS

IR

Vibrations