Geometry & MOs

Info

ID:	227104
PubChem CID:	87560195
Reduced:	NCl2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-89.38
Dipole, Da:	6.18
IP(EA), eV:	-9.57(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethylbuta-1,3-diene;phenol

Drug info:

PubChemData

Smile

C1CN(C[C@@H]2[C@H]1[C@@]2(C=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

DOS

IR

Vibrations