Geometry & MOs

Info

ID:	143967
PubChem CID:	53289123
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-52.46
Dipole, Da:	4.36
IP(EA), eV:	-8.87(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=CN=CC=C1)OC2=C(C=C(C=C2)C)C

DOS

IR

Vibrations