Geometry & MOs

Info

ID:	246583
PubChem CID:	103061387
Reduced:	O2N5C14H15 (1)
Stoich.:	A2B5C14D15 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	9.79
Dipole, Da:	3.2
IP(EA), eV:	-8.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(N-ethyl-4-methylanilino)methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2O1)CC3=CN=C(C=N3)NN

DOS

IR

Vibrations