Geometry & MOs

Info

ID:	295242
PubChem CID:	117523044
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	5.51
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(methylamino)-4-(3-methylphenoxy)butan-2-one

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)C2=NC=C(C(=N2)N)C=O

DOS

IR

Vibrations