Geometry & MOs

Info

ID:	255631
PubChem CID:	103133589
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	200.188863
ΔH_f, kcal/mol:	3.88
Dipole, Da:	5.64
IP(EA), eV:	-8.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',2-dimethyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=C3C(=CC=C2)NCCO3

DOS

IR

Vibrations