Geometry & MOs

Info

ID:	309944
PubChem CID:	126569075
Reduced:	O4N5C24H35 (1)
Stoich.:	A4B5C24D35 (1)
Weight, g/mol:	308.282764
ΔH_f, kcal/mol:	-134.32
Dipole, Da:	3.25
IP(EA), eV:	-8.41(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,6E)-2,14-dimethyl-1-azacyclotetradec-6-en-2-yl]butanamide

Drug info:

PubChemData

Smile

CCC1C(=O)N(C2=CNC(NC2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)OCC)OC)C

DOS

IR

Vibrations