Geometry & MOs

Info

ID:	262181
PubChem CID:	103275483
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	334.03169
ΔH_f, kcal/mol:	30.12
Dipole, Da:	2.01
IP(EA), eV:	-8.8(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-prop-2-ynoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CNCC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations