Geometry & MOs

Info

ID:	155203
PubChem CID:	56322637
Reduced:	FOSN3C21H28 (1)
Stoich.:	ABCD3E21F28 (1)
Weight, g/mol:	408.100748
ΔH_f, kcal/mol:	-61.72
Dipole, Da:	3.12
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(3,4-dichlorophenyl)butanoylamino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)NC(C)C2=C(C=CC(=C2)F)N3CCN(CC3)C)C

DOS

IR

Vibrations