Geometry & MOs

Info

ID:

399284

PubChem CID:

135039399

Reduced:

NC16H16 (1)

Stoich.:

AB16C16 (1)

Weight, g/mol:

207.162314

ΔHf, kcal/mol:

75.68

Dipole, Da:

1.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.886151

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-butoxyethyl)-N-methylaniline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC=C2C(C)C3=C[CH-]C=C3

DOS

IR

Vibrations