Geometry & MOs

Info

ID:	194875
PubChem CID:	78600878
Reduced:	ON2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	345.100595
ΔH_f, kcal/mol:	30.37
Dipole, Da:	2.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.909071
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH2+]CC1CC(=NO1)C2=CC=C(C=C2)C

DOS

IR

Vibrations