Geometry & MOs

Info

ID:	138608
PubChem CID:	52393293
Reduced:	N2O3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-18.66
Dipole, Da:	6.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.006069
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=NOC=C1)[NH+](C)CC2=C(C(=CC=C2)OC)OCC(=C)C

DOS

IR

Vibrations