Geometry & MOs

Info

ID:

195077

PubChem CID:

78630630

Reduced:

ClNO3C16H27 (1)

Stoich.:

ABC3D16E27 (1)

Weight, g/mol:

264.140868

ΔHf, kcal/mol:

-131.77

Dipole, Da:

3.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754865

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(4-aminophenyl)ethylideneamino]-3-butylthiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)C)OCC(C[NH2+]CCCO)O

DOS

IR

Vibrations