Geometry & MOs

Info

ID:	198739
PubChem CID:	79144734
Reduced:	BrON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	6.72
Dipole, Da:	1.13
IP(EA), eV:	-9.14(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)CNCC1=C(OC=N1)C2=CC(=CC=C2)Br

DOS

IR

Vibrations