Geometry & MOs

Info

ID:	126814
PubChem CID:	50980016
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-33.56
Dipole, Da:	6.52
IP(EA), eV:	-8.93(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-benzyl-N-(3-hydroxy-2-methylpropyl)hex-3-enamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2CCCC(C2)CN3C=CN=C3

DOS

IR

Vibrations