Geometry & MOs

Info

ID:	256599
PubChem CID:	103140095
Reduced:	FON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	186.173213
ΔH_f, kcal/mol:	-13.47
Dipole, Da:	4.03
IP(EA), eV:	-8.33(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)OC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations