Geometry & MOs

Info

ID:	194872
PubChem CID:	78600660
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	315.150881
ΔH_f, kcal/mol:	-49.91
Dipole, Da:	5.41
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-fluorophenyl)methyl-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]azanium

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)N=CC3=CC(=CC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations