Geometry & MOs

Info

ID:	155110
PubChem CID:	56320700
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-162.78
Dipole, Da:	7.17
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]propyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)NCCCNC(=O)C3=CC(=CC=C3)O)C

DOS

IR

Vibrations