Geometry & MOs

Info

ID:	129440
PubChem CID:	51072597
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	307.115462
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	3.74
IP(EA), eV:	-9.38(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C2=NOC(=C2)C)C

DOS

IR

Vibrations