Geometry & MOs

Info

ID:	147814
PubChem CID:	53787472
Reduced:	ClN4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	162.044757
ΔH_f, kcal/mol:	69.23
Dipole, Da:	2.64
IP(EA), eV:	-8.88(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chloro 2,4-dimethylpent-4-enoate

Drug info:

PubChemData

Smile

CN(C(=N)N)N=CC1=CC=C(C=C1)Cl

DOS

IR

Vibrations