Geometry & MOs

Info

ID:	446002
PubChem CID:	135271253
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	198.198365
ΔH_f, kcal/mol:	30.15
Dipole, Da:	5.96
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2,2,5-trimethyloctan-4-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NN=C2)N3CC4=C(C=C(C=C4)C5CN(C5)C(=O)C=C)NC3=O

DOS

IR

Vibrations