Geometry & MOs

Info

ID:	140218
PubChem CID:	52663929
Reduced:	FO2N5C25H26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	341.118744
ΔH_f, kcal/mol:	-46.65
Dipole, Da:	6.9
IP(EA), eV:	-9.17(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(3,4-dichlorophenyl)ethyl]-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-propylazanium

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4F

DOS

IR

Vibrations