Geometry & MOs

Info

ID:	230722
PubChem CID:	87571742
Reduced:	O4N5C30H39 (1)
Stoich.:	A4B5C30D39 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-66.52
Dipole, Da:	5.42
IP(EA), eV:	-8.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[6-(prop-2-enoylamino)hexyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=NC(=NC3=CC(=C(C=C32)NC(=O)/C=C/CN(CCOC)CCOC)C4CC4)OC

DOS

IR

Vibrations