Geometry & MOs

Info

ID:	198749
PubChem CID:	79145050
Reduced:	ClNO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	-35.0
Dipole, Da:	3.82
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=C(N=CO2)CCl

DOS

IR

Vibrations