Geometry & MOs

Info

ID:	138448
PubChem CID:	52368576
Reduced:	N2O2C17H23 (1)
Stoich.:	A2B2C17D23 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	14.39
Dipole, Da:	3.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.897444
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C[NH+](CC=C)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations