Geometry & MOs

Info

ID:	127141
PubChem CID:	50992264
Reduced:	NP2O7C12H29 (1)
Stoich.:	AB2C7D12E29 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-489.54
Dipole, Da:	4.51
IP(EA), eV:	-10.88(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(N)(OP(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations