Geometry & MOs

Info

ID:	250455
PubChem CID:	103096785
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	313.98215
ΔH_f, kcal/mol:	5.64
Dipole, Da:	4.36
IP(EA), eV:	-8.07(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-chlorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CNC2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations