Geometry & MOs

Info

ID:	438845
PubChem CID:	135228603
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	47.02
Dipole, Da:	3.1
IP(EA), eV:	-8.48(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-yl]formamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)C#N)/C(=C/C)/NC

DOS

IR

Vibrations