Geometry & MOs

Info

ID:	434415
PubChem CID:	135174899
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	556.435242
ΔH_f, kcal/mol:	-11.02
Dipole, Da:	7.96
IP(EA), eV:	-8.96(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[4-(tert-butylamino)butan-2-yloxy]pyridin-2-yl]-N-[2-[5-(2,2-dimethylpropoxy)pyridin-2-yl]oxyethyl]-2,5-dimethylhexan-2-amine

Drug info:

PubChemData

Smile

CC(C)COC1=CC(=CC(=C1)NC(=O)C2=CN=CC(=C2)C#N)CNCC3CCNC3

DOS

IR

Vibrations