Geometry & MOs

Info

ID:	292572
PubChem CID:	116933607
Reduced:	N4C13H20 (1)
Stoich.:	A4B13C20 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	29.15
Dipole, Da:	6.7
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1,3-benzoxazol-6-yl)butane-1,4-diamine

Drug info:

PubChemData

Smile

CC(C)(CC(C1=CC2=C(C=C1)N(C=N2)C)N)N

DOS

IR

Vibrations